Webinar Archive

Unable to attend a live webinar? Download recordings of webinars from our archives.

• Pipeline Pilot, the Accelrys Scientific Informatics Platform, and its Collections
• Symyx Notebook by Accelrys, Electronic Laboratory Notebook
• Materials Modeling and Simulation
• Life Science Modeling and Simulation
• Informatics: Cheminformatics, Bioinformatics, Biological Registration and Materials Informatics

  Pipeline Pilot, the Accelrys Scientific Informatics Platform, and its Collections

  What’s New in Pipeline Pilot 8.5 Collection Update 1?

  Collection Update 1 for Pipeline Pilot 8.5 includes key new features for the Pipeline Pilot Client, as well as the Imaging, Next Gen Sequencing, Chemistry, Documents and Text, and Statistics and Modeling collections. An exciting new feature for the Pipeline Pilot Client is Protocol Comparison – the ability to compare protocols, or versions of protocols, allowing you to see and resolve differences between them.

  Request the "What’s New in Pipeline Pilot 8.5 Collection Update 1?" webinar recording

  Best Practices in Pipeline Pilot Protocol Development and Deployment

  Pipeline Pilot provides users the ability to standardize, automate, and deploy best practice processes within their organizations. Using capabilities such as Design Mode, protocol versioning, validation, and the newly released Protocol Comparison feature, scientific developers can create, edit and deploy protocols. Protocols can be made available in a wide variety of end-user clients and programmatic interfaces. In many respects, these capabilities match processes and practices used by software engineers for developing their software applications.

  Join us for this webinar as we cover best practices for Pipeline Pilot protocol authors including creating, maintaining, updating and deploying protocols within your organization.
  

  Request the "Best Practices in Pipeline Pilot Protocol Development and Deployment" webinar recording

  What's New in the NGS Collection for Pipeline Pilot?

  Join us as we highlight numerous enhancements made to the NGS collection with the release of Pipeline Pilot 8.5 Collection Update 1 (CU1). Major internal Accelrys R&D efforts on the NGS collection have produced more new functionality than is warranted for a collection update release. We will share vast enhancements made to the collection in areas of performance, enterprise readiness, third party tool integration and increased application specific example protocols. Enhancements were driven by customer feedback and  designed to minimize efforts on users  in order to get to relevant results faster.

  Request the "What's New in the NGS Collection for Pipeline Pilot?" webinar recording

  What's New in Pipeline Pilot 8.5

  This latest update to our enterprise R&D platform introduces new and enhanced capabilities focused on improved system performance, usability, and security, while offering access to enhanced science through Pipeline Pilot's various collections. Some of the major enhancements include: Windows Integrated Authentication, updates to the Chemistry, NGS, Imaging, and Materials Studio Collections, and much more. Join us for this hour as we provide an overview of the Pipeline Pilot 8.5 release, we will schedule additional webinars to drill into specific functionality for some of the major updates.

  Request the "What's New in Pipeline Pilot 8.5" webinar recording

  Protocols, Pipelines, and PilotScript - What Does it All Mean? An Introduction to Pipeline Pilot

  At the core of Accelrys’ product portfolio, Pipeline Pilot represents the glue that holds together many key processes within scientific organizations. Pipeline Pilot is used by scientists to address their specific needs for data integration, mining, analysis, reporting and visualization, and developers who want to publish repeatable processes to their broader scientific enterprise. 

  Discovery Studio, Isentris, Biological and Chemical Registration, and Symyx Notebook by Accelrys all use Pipeline Pilot to provide scientific data handling and analysis capabilities. While much of the integration happens behind the scenes, a working knowledge of Pipeline Pilot itself, as well as how it integrates with other Accelrys products, can provide even greater value to you. Join us for this introductory webinar as we cover many of the basics of Pipeline Pilot, providing a sound understanding of Pipeline Pilot’s core capabilities including how it integrates with other Accelrys products.  

  Request the "Protocols, Pipelines, and PilotScript - What Does it All Mean? An Introduction to Pipeline Pilot" webinar recording

  What's New in the Materials Studio Collection for Pipeline Pilot 8.5?

  Join Ted Pawela, Sr. Director of Materials Product Marketing, for this webinar in showcasing the new features and enhancements in the Pipeline Pilot Materials Studio Collection (MSC).  The Materials Studio Collection automates repetitive tasks and enables expert modelers to deploy validated methods to other scientists and materials researchers.  Enhancements in the Materials Studio Collection for Pipeline Pilot 8.5 include new property calculations for polymers, polymorph screening, crystal structure and property computation, comparison of models with experimental data, and other capabilities that put computational materials science on the path of mainstream scientific operations.  This webcast will highlight application of these capabilities to polymers and crystallization applications in pharmaceutical development, chemicals, electronics, and other industries that rely on materials innovation for competitive differentiation.

  Request the "What's New in the Materials Studio Collection for Pipeline Pilot 8.5?" webinar recording

  What's New in Pipeline Pilot Imaging

  Join Tim Moran, Director at Accelrys, for this webinar in which he will showcase the new features and enhancements in the Pipeline Pilot Imaging Collection. The basic and advanced imaging collections have been combined in an effort to simplify the end user experience. Key themes for Imaging in the Pipeline Pilot 8.5 release include: ease of use, 3D Imaging, Machine Learning and Data Management Integration. Example protocols will include: 3D labeling and viewing, crystal classification, drag select object training and automated classification, high content screening and more.

  Request the "What's New in Pipeline Pilot Imaging" webinar recording

  Predictive and Analytical Chemistry Tools—Introducing ACD/Labs' Collection for Pipeline Pilot

  Accelrys' Partner, ACD/Labs provides industry accredited solutions for physicochemical, ADME, and Toxicity predictions as well as IUPAC and CAS-Index type nomenclature; tools that have been available for use in Pipeline Pilot for many years. In response to customer requests, ACD/Labs has recently exposed new functionality in analytical data handling to the pipeline pilot environment. The new component collection allows end users to exploit their support of over 100 vendor file formats across NMR, LC/GC/MS, vibrational (UV/IR/Raman), and other techniques such as DSC, TGA, and XRPD. Their powerful algorithms can be used to provide advanced processing, interpretation, structure verification, and analytical knowledge management, and provide a standardized environment for analytical data handling and collaborative research. Join us to learn how ACD/Labs tools can aid your R&D efforts.

  Request the "Predictive and Analytical Chemistry Tools—Introducing ACD/Labs' Collection for Pipeline Pilot" webinar recording

  What's New in Pipeline Pilot Statistics

  This presentation will introduce new features and functionality in Statistics in Pipeline Pilot 8.5. Topics include robust fitting of dose-response curves using Iteratively Reweighted Least Squares (IRLS), and model coefficient error bars. New Prototype Statistical Components will be introduced as well, including SAS JMP integration components and Design of Experiment (DOE) components.

  Request the "What's New in Pipeline Pilot Statistics" webinar recording

  Enhancing Data Pipelining with Document Search and Text Analysis

  The Documents and Text Collection (DTC) for Pipeline Pilot combines the former Text Analytics and ChemMining Collections into a single component set, focused on finding, analyzing, and displaying information from text and documents. A key use of the DTC is to enhance and support the analysis of experimental data generated during your research projects. To do this, the DTC offers broad capabilities, including the ability to search and retrieve documents from online (e.g., PubMed, US & WO Patents) and local (e.g., SharePoint) repositories, and to crawl web sites to gather supporting data and competitive intelligence. For deeper text analytic methods and to integrate with other applications you may have access to, Pipeline Pilot and the DTC also integrate with 3rd party text analytics applications and technologies such as Linguamatics I2E and the UIMA framework.

  The DTC enables you to:
  a. Enrich scientific reports with pointers to, and visualizations of latest literature
  b. Analyze and highlight key biological or chemical concepts
  c. Customize internal/external scientifically-aware search portals
  d. Integrate and supplement various text analytics vendor technologies

  This webinar will cover many of these capabilities using specific example use-cases, including highlighting new features of the DTC in Pipeline Pilot 8.5.

  Request the "Enhancing Data Pipelining with Document Search and Text Analysis" webinar recording

  Quantifying the Value of Pipeline Pilot

  With increasing pressure to reduce their IT costs, organizations are asking, “How much value do we get from our software licenses and does it justify the price?”  Using an approach developed at Northwestern University’s Kellogg School of Management and highlighted as best practice in the Harvard Business Review, Axios Partners led a customer value research team in developing equations to quantify the value, collecting data from customers, and benchmarking the value of Accelrys’ Pipeline Pilot platform.  During this webinar, Axios Managing Director, Eric Berggren, will review the methodology, the process, the sources of value, and the results.  Research participants found the Pipeline Pilot project results to be very useful internally, and many expressed a desire to apply this methodology to their other software purchases.  Can you afford not to measure the value of your IT spend?

  Request the "Quantifying the Value of Pipeline Pilot" webinar recording

  What's New in Pipeline Pilot 8.0?

  Through the introduction of a range of new functionality, Pipeline Pilot 8.0 improves the speed and quality of scientific innovation, meets the security and scalability needs of the enterprise, and enables superior collaboration for research teams.

  Join us for this overview session to learn how:

  • The new Design Mode and Data Watch Windows make it faster and easier to build and debug protocols.
  • Many new enhancements to the Imaging, Chemistry and Statistics Collections will provide deeper and more comprehensive scientific capabilities. We will go in-depth into these Collections in future webinars.
  • Extended platform support, database management, server load monitoring and the ability to set access permissions at the folder level or user role enable Pipeline Pilot to meet the security and scalability needs of your scientific and IT communities.
  • Enhanced integration with SharePoint Server 2007 and new Reporting Collection capabilities will help you and your teams communicate quickly and effectively.

  Each of these topics will be discussed in-depth in future webinars. This session is intended to be an overview of new features found in the latest release of Pipeline Pilot.

  Request the "What's new in Pipeline Pilot 8.0" webinar recording

  Automated Image Quantification in Tumor Tissue with Pipeline Pilot: A Sanofi-Aventis Case Study

  Human Hepatocarcinoma (HCC) is the third leading cause of cancer-related mortality worldwide. Leveraging  the Imaging Collection for Pipeline Pilot, Sanofi-Aventis has developed an automated workflow for quantifying vascular organization in tumors and tumor cell apoptosis, to help achieve the ultimate end goal of developing innovative therapies for HCC.

  Join Keith Neil, Image Informatics Project Manager at Sanofi-Aventis, as he walks us through a digital image analysis process for the study of immunohistological slides of CD105 vascular organization and cleaved caspase-3 apoptosis quantification in both liver tumors and corresponding healthy tissue, as well as his experience with Accelrys imaging tools.

  Request the "Automated Image Quantification in Tumor Tissue with Pipeline Pilot: A Sanofi-Aventis Case Study" webinar recording

  An introduction to the NGS Collection for Pipeline Pilot

  The release of the Next Generation Sequencing (NGS) Collection for Pipeline Pilot enables a more streamlined and agile approach to NGS data analysis with a comprehensive set of components and pipelines for the automated analysis and interpretation of the complex datasets generated by today’s DNA sequencing platforms. Watch the webinar to learn more about this new Collection.

  Request the "An introduction to the NGS Collection for Pipeline Pilot" webinar recording

  Pipeline Pilot 8.0: Updates for the Professional Client and Reporting Collection

  Pipeline Pilot 8.0 includes significant changes to the Pipeline Pilot Professional Client and the Reporting Collection. Join us for this webinar in which we'll discuss and demonstrate changes to the Pro Client that make it faster and easier to build and debug protocols, and enhancements to the Reporting Collection that will help you and your teams communicate quickly and effectively.

  Key enhancements that will be highlighted include:

  • Pro Client Design Mode and Watch Windows, which streamline the process of building and debugging protocols
  • Enhanced component/protocol searching, that retains favorites and provides suggestions
  • Protocol profiling, to find bottlenecks and speed up protocol optimization
  • For the Reporting Collection, we cover the introduction of Format and Position Styles, several new components, and how you can add much more interactivity in your reports, allowing you to explore and mine your data

  Request the "Professional Client and Reporting Collection Updates" Webinar Recording

  Pipeline Pilot 8.0: Enabling Enterprise Image Informatics

  This session will focus on the many new enhancements to the Imaging Collection including a comprehensive supported set of image file formats and a wide range of commercial and open source image processing applications. In addition, an interactive viewer within Pipeline Pilot, has been developed for viewing, annotating and processing images of all sizes providing the scientific enterprise with a single platform for all R&D image informatics. Learn how to apply state of the art learning and modeling techniques to image regions for advanced processing and analysis.

  Request the "Enabling Enterprise Image Informatics" Presentation Slides

  Pipeline Pilot 8.0: Updates to the Statistics and Chemistry Component Collections

  Join us for a discussion of the many enhancements made to the Data Modeling, Advanced Data Modeling, R Statistics and Chemistry Collections with the latest release of the Pipeline Pilot platform.

  Statistics updates include model applicability domain (MAD) support for all learners in all three collections, helping you ensure that the models you build are applied properly when making predictions, and allowing you to assess the prediction accuracy for specific samples. Model evaluation viewers for both regression and classification models allow you to easily compare multiple models to determine which is best. We will cover new options for computing distances (dissimilarities) between samples for clustering, similarity searching, and applicability domain calculations. These options give you greater flexibility in determining how distances are computed, including the option to allow (and correct for) missing data.

  Enhancements to the Chemistry Collection improve the way chemical knowledge is stored and communicated throughout the enterprise. Updates include better and more customizable molecular depictions in reports and the addition of new components to support chemical registration and interaction with chemical databases.

  Request the "Statistics and Chemistry Component Collections" Webinar Recording

  Pipeline Pilot: Bridging the Gap Between Research and IT

  In today's environment, research organizations are under extreme pressure to increase the pace and productivity of the innovation cycle. IT is feeling the same pressure as they are a critical element in helping internal customers achieve these business objectives. Learn how Pipeline Pilot optimizes scientific collaboration via Microsoft SharePoint, automates scientific workflows and addresses the needs of the scientific enterprise. The result? IT managers are better able to align resources with objectives, control costs and improve internal customer satisfaction.

  Request the "Bridging the Gap Between Research and IT" Webinar Slides

  Population Pharmacokinetics with Pipeline Pilot

  Population pharmacokinetics is the study of the sources and correlates of variability in drug concentrations among individuals who are the target patient population receiving clinically relevant doses of a drug of interest. When clinical trials run for many years, it becomes difficult to prepare and aggregate incompatible datasets. Using the disparate population pharmacokinetics application software and gathering their results in a compelling way to take better decisions is another key challenge. Pipeline Pilot is a scientifically intelligent implementation of a workflow technology known as data pipelining. It allows scientists to construct and execute workflows using components that encapsulate many algorithms. This flexible visual programming language captures and deploys your best-practice processes. This webinar will highlight the population pharmacokinetics tools and protocols within Pipeline Pilot for incompatible data aggregation and preparation, disparate application software automation and interactive reports deployment.

  Request the "Population Pharmacokinetics with Pipeline Pilot" Webinar Recording

  Creating Competitive Advantage: Scientifically Enabling SharePoint with Pipeline Pilot

  This seminar series will help Scientists, R&D Management and IT professionals better understand how Pipeline Pilot from Accelrys and Microsoft SharePoint are being used to streamline operations, increase productivity, and eliminate silos of scientific data in order to facilitate collaboration with both internal and external partners.

  Request the "Creating Competitive Advantage: Scientifically Enabling SharePoint with Pipeline Pilot" Webinar Recording

  Chemical Text Mining: Find Chemicals in Text using the ChemMining Collection for Pipeline Pilot™

  Learn how you can mine patents, full text articles, journal abstracts, and internal document repositories to uncover context-specific data about chemical structures of interest. These resources contain highly-valuable information regarding chemical entities and related terms and concepts. However, unlocking the value is often difficult due to the amount of information available, as well as the complexities and subtleties of extracting information in an automated process. The ChemMining Collection can help you extract knowledge, save time, and avoid duplication of research efforts.

  Request the "Chemical Text Mining" Webinar Recording

  Accelerating Discovery and Development Research -
  Scientific Data Integration and Dashboards

  Improve your scientific and business decisions by visually building workflows that analyze diverse data sources and produce interactive reports. This webinar series demonstrates how to integrate chemistry, sequence, imaging, and text data within a powerful analytical environment. Examples include drug pipeline status reports, biological assay data analyses, and business analytics applications, demonstrating how to efficiently meet your scientific and business objectives.

  Request the "Accelerating Discovery and Development Research -
  Scientific Data Integration and Dashboards" Webinar Recording

  High Content Image and Data Analysis with Pipeline Pilot

  This session will focus on how the Pipeline Pilot platform can be used in the high content laboratory. We will show both modular, streamlined data analysis methodologies, and sophisticated image processing capabilities that can be deployed using this platform. The Pipeline Pilot Plate Data Analytics, Imaging, Reporting and Data Modeling component collections provide the tools and the Pipeline Pilot environment provides an ideal framework for working with large volumes of multi-parametric data, images and meta-data. Deployment of these tools will be highlighted in a demonstration of the High Content Screening Workbench, a reference implementation for analysis of multi-parametric image based assay data.
  
  A case study on the use of Pipeline Pilot for advanced high content analysis in nuclear receptor sensitivity will be presented by Baylor College of Medicine.

  High Content Image and Data Analysis with Pipeline Pilot

  Enhancing Your High Content Analysis Workflows
  (three-part webinar series)

  Improve the way you work with your High Content Analysis Data by visually building workflows that analyze your data sources and produce interactive reports. This webinar series will demonstrate several applications of Pipeline Pilot for images and associated data. You'll learn how you can validate data and reduce result variability with an automated and uniform application of business rules, build customized interfaces and drill down to raw image data, and make QC decisions with greater confidence.

  Request the "Enhancing Your High Content Analysis Workflows" Webinar Recordings

  Enhance Your Image Processing and Analysis—Introducing the Advanced Imaging Collection for Pipeline Pilot

  Enhance your image processing and analysis with the Advanced Imaging Collection for Pipeline Pilot, which delivers new tools for learning and clustering, manipulating multidimensional image sets, and enhancing data processing of large image sets. Learn how you can put these new tools to use by viewing two webinars that demonstrate several applications of Pipeline Pilot for the processing of images and associated data. The recordings include:

  • Using Visual Programming for Advanced Image Processing
  • Advanced Tools for Image Data Management and High Content Analysis Data Interaction

  Request the "Enhance Your Image Processing and Analysis—Introducing the Advanced Imaging Collection" Webinar Recording

  Achieve New Freedom in Your Image Processing & Reporting:
  Introduction to the Pipeline Pilot Imaging Collection

  Learn how you can easily create and automate customized imaging workflows and unite image, numeric, chemical and textual data with the Imaging Component Collection, available for use with Pipeline Pilot 6.0. By integrating image data with numerical, chemical, graphical and textual data in a unified computing framework, the Imaging Collection makes it easy for you to make the most of all your data. This webinar introduced the data structure and processing approach for images in Pipeline Pilot. This session presented an imaging use-case, highlighting an integrated system for sample annotation, quality control, data analysis, reporting and publishing as it applies to High Content Screening. However, the Imaging Collection provides powerful image handling and analysis tools for diverse types of imaging analyses used in a variety of industries, making this webinar recording useful for anyone interested in fast, scalable, and customizable image processing and reporting functionality.

  Request the "Achieve New Freedom in Your Image Processing & Reporting" Webinar Recording

  Pipeline Pilot & Tripos Webinar: Building Powerful Workflows by Integrating Best-of-Breed Science

  Learn how you can easily integrate software applications from different vendors or tools developed in-house— thereby creating an integrated environment that increases efficiency and makes it possible to address ever more complex problems. This webinar presented an advanced integration environment— Pipeline Pilot—and its deployment through a common and intuitive user interface. The speakers showed the development of novel chemistry methods using the Pipeline Pilot Molecular Toolkit, and inclusion of partners components (such as those from Tripos) in powerful workflows.

  Request the "Pipeline Pilot & Tripos" Webinar Recording

  Symyx Notebook by Accelrys, Electronic Laboratory Notebook

  Achieving Superior Sample Management and Analysis

  Disconnected informatics point solutions drive inefficiencies in the lab- to-plant product lifecycle. Integrated and convergent informatics systems accelerate experiment and sample cycle times, reduce experimentation and optimize scientific workflows to improve scientific innovation and productivity. By connecting scientists, information, instruments and software, these convergent systems help scientists execute projects, studies, experiments and sample analysis more efficiently.

  What you'll learn in this webinar:

  The latest scientific informatics environments from Accelrys and Thermo Fisher Scientific improve scientific innovation, productivity and collaboration by improving efficiency in:

  • Capturing raw data, sample information and
    experimental results
  • Searching, browsing, analyzing and reporting
    experimental information
  • Orchestrating and exchanging information between
    existing systems

  Request the "Achieving Superior Sample Management and Analysis" Webinar Recording

  Simplify and Accelerate Formulation Development with an Electronic Lab Notebook

  In the drive to bring superior, cost-effective products to market faster, today's formulators are under intense pressure to quickly design, analyze and scale-up experiments. Learn how you can simplify and accelerate formulation development using the Accelrys ELN, as well as improve data consistency, collaboration and reporting.
  

  In this webinar, we'll demonstrate how Symyx Notebook by Accelrys can help you
  

  • Minimize paperwork and data transcription errors
  • Easily find, re-use and share knowledge
  • Improve collaboration with analytical and process teams

  Request the "Simplify and Accelerate Formulation Development with an Electronic Lab Notebook" Webinar Recording

  C&EN Webinars Presents - Driving End-to-End Drug Development through an Electronic Lab Notebook

  Joel Hanson, Global Head, Research IT, Johnson & Johnson Pharmaceutical R&D
  
  Cutting and pasting print-outs into a paper lab notebook can consume up to 25% of a scientist's workday, reducing the time left for science. Eliminating scissors and glue is reason enough for equipping scientists with an electronic lab notebook (ELN), however, the true value of the ELN extends far beyond replacing paper. In this webinar, Johnson & Johnson describe how they implemented an ELN in their large and small molecule API, and their drug product and analytical groups, and how these teams are working together more efficiently and productively as a result.

  Request the "Driving End-to-End Drug Development through an Electronic Lab Notebook" Webinar Recording

  C&EN Webinars Presents - Bringing the Electronic Lab Notebook to Life for Analytical Scientists

  Stan Piper, Principal Scientist, eLN Business Lead, Pfizer Global R&D
  
  With scientists often challenged by paper documentation, tedious error-prone manual processes and massive volumes of information, electronic lab notebook adoption is taking the scientific community by storm. The Pfizer electronic lab notebook (eLN) project was launched in the Pharmaceutical Sciences division in 2006 and the eLN is now used by hundreds of scientists in multiple locations. In this webinar, Pfizer shares their experience in selecting and implementing an eLN for use by analytical chemists in both regulated and non-regulated laboratory environments.

  Request the "Bringing the Electronic Lab Notebook to Life for Analytical Scientists" Webinar Recording

  Enhancing Productivity by Utilizing Pipeline Pilot Capabilities in the ELN

  The Accelrys electronic lab notebook (ELN) now enables access to Pipeline Pilot, offering scientists capabilities that accelerate experiment design, execution and analysis from within the ELN.  In this webinar we'll take a closer look at how Symyx Notebook by Accelrys and Pipeline Pilot work together to enhance productivity for scientists. We'll show you how Pipeline Pilot's library of re-usable scientific components can help you

  • Rapidly deliver new capabilities to scientists using GUI development tools
  • Exploit experiment design, analysis and reporting functions in the ELN to improve productivity
  • Gain new insights into experiments through scientific analytics

  Request the "Enhancing Productivity by Utilizing Pipeline Pilot Capabilities in the ELN" Webinar Recording

  Accelerate Your Process Chemistry with an ELN

  Learn how ELNs can help process chemists deliver cost-effective, high-yield processes with minimal environmental impact. In this webinar we'll demonstrate how Symyx Notebook by Accelrys can help you

  • Accelerate and optimize synthetic route selection
  • Reduce the number of experiment cycles
  • Speed scale-up processes to glass, pilot and manufacturing plants
  • Easily find, re-use and share process knowledge

  Request the "Accelerate Your Process Chemistry with an ELN" Webinar Recording

  Five Ways to Accelerate Drug Development with an ELN

  Learn how the Accelrys ELN enables drug development teams to increase operational agility. In this webinar we’ll show you how an ELN can help you

  • Increase efficiency by eliminating tedious, error-prone processes
  • Improve collaboration between analytical, process and formulations teams
  • Simplify compliance using standardized processes

  And two more you'll learn about during our webinar!

  Request the "Five Ways to Accelerate Drug Development with an ELN" Webinar Recording

  Getting more out of an ELN with Pipeline Pilot and Isentris

  The latest release of the Accelrys ELN includes powerful new capabilities to accelerate experiment design, execution and analysis of experiments. In this webinar we'll demonstrate how Symyx Notebook by Accelrys

  • Integrates with Pipeline Pilot, improving data analytics and reporting
  • Connects with Isentris, enabling cross-experiment data access to enhance and speed decisions
  • Simplifies and automates formulations development to improve consistency and design of experiments
  • Enables collaborative workflow in R&D

  Request the "Getting more out of an ELN with Pipeline Pilot and Isentris" Webinar Recording

  Empower Your Analytical Lab with an ELN

  Learn how the Accelrys ELN can improve your personal productivity and ability to collaborate with others. In this webinar we'll demonstrate how an ELN can help you

  • Save time, reduce mistakes and ease compliance burdens
  • Integrate with balances, instruments and systems
  • Easily plan, execute and report experiments
  • Quickly find and share information

  Request the "Empower Your Analytical Lab with an ELN" Webinar Recording

  Materials Modeling and Simulation

  What's New in Materials Studio 6.0

  Materials Studio 6.0 includes a host of new capabilities that enhance the ability of materials scientists to predict properties and perform virtual screening of candidate material variations. Join Dr. Stephen Todd of Accelrys as he talks about the new product capabilities included in the recently released Materials Studio 6.0. Benefits of the new release capabilities include:

  • Faster & more accurate property prediction for metals, organics, rare earth & magnetic materials
  • Wider range of properties prediction for salts, crystals, polymers, metal oxides, electronics & semiconductor materials
  • Improved graphics performance for better user experience
  • Introduction of new DFTB+ module that combines the accuracy of quantum methods with the speed of atomistic methodologies to enable the study of larger, more realistic structures

  Request the "What's New in Materials Studio 6.0" Webinar Recording

  C&EN Webinars Presents: Application of Modeling and Simulation to Nanotechnology

  Nanotechnology and nanomaterials are hot topics in materials science. Simply defined, nanotechnology is the study of manipulating matter on an atomic and molecular scale to develop materials, devices and other structures at a scale of 1 to 100 nanometers. A recent European Seventh Framework Programme (FP7) project called “NanoInterface” evaluated the use of modeling and simulation, in conjunction with experimental data, to understand interfacial behaviour of metal-oxide-polymer interfaces for nanoelectronic devices. Accelrys participated in this project with a view to developing tools for simulating the interfacial properties, properties of the bulk network polymer, storing the data and deploying the tools through a simplified web interface. In this presentation, Dr. Stephen Todd of Accelrys will talk about the work done to support this project and demonstrate the resulting simplified interface and associated reporting tools.

  Topics Covered/What Participants Will Learn:

  • How modeling and simulation methods and procedures can be easily deployed to non-experts
  • How scientists can use computational science in the development of nanomaterials and devices today
  • Recent advances in simulation technology that support even more advanced nanomaterials modeling

  Request the "C&EN Webinars Presents: Application of Modeling and Simulation to Nanotechnology" Webinar Recording

  Materials Modeling & Simulation for Automotive Research & Development

  Join us as we take a look into the Automotive Industry and how Molecular  modeling and informatics tools are aiding in the research and development of new and renewable automotive materials.

  The best companies are driven by new ideas and the automotive industry is no exception. Auto makers are beginning to think like tech companies in that keeping up with customer demands requires constant innovation. It is now well accepted that computer modeling and simulation at multi-scale levels offers substantial opportunities for scientific and engineering breakthroughs that cannot otherwise be realized using laboratory experiments, observations, or statistical data analysis alone.

  In this webinar, we will discuss how molecular modeling and simulation is becoming an indispensable tool in the arsenal needed to address many energy, sustainability and environmental problems that auto makers and companies across all industries face. Learn how understanding the molecular processes in next-generation fuel cells and battery technologies will play an important role in the design of new approaches for future alternative energy production and use. We’ll also discuss cutting-edge modeling and simulation methods and how they’re addressing scientific questions relevant to dynamic and reactive chemical processes such as catalysis, hydrogen storage and materials performance enhancements.   

  Request the "Materials Modeling & Simulation for Automotive Research & Development" Webinar Recording

  In this webinar Accelrys Principle Scientist, Michael Doyle, discusses Modeling and Informatics tools and how they aid in the manufacturing development of pharmaceutical materials while offering the potential to directly improve the drug development process. Learn about the benefits of Modeling & Informatics for:

  • Increased knowledge of drug materials to increase confidence in drug performance and reduce overall development risk
  • Streamlining of pharmaceutical formulation and development efforts by early characterization of drug materials to avoid potential pitfalls and dead ends
  • Early insights into likely stability of specific drug forms supporting selection of preferred formulations in development
  • Leveraging available experimental data to better understand the drug at the molecular level and provide tangible opportunities to anticipate drug behavior and interactions, including understanding of the potential impact of material variability on manufacturing development efforts.

  Request the "Materials Modeling & Simulation for Pharmaceutical Development" Webinar Recording

  Materials Modeling and Simulation for Nanotechnology

  Discover how to streamline your innovation cycle and drive better, faster results with Materials modeling and simulation for Nanotechnology. This webinar will focus on how Materials Studio is a comprehensive nano materials modeling and simulation application designed for scientists in materials R&D. 

  It is in the nature of nano materials, that they are non-linear and that their properties do not reflect those of the bulk substances. In fact, their interactions can provide access to new chemistry and catalytic reactions that could not be performed at the bulk scale. Materials Studio has a number of modules specifically designed and optimized for dealing with Nano scale systems. These range from nano and amorphous material builders through to the more extensive quantum mechanical tools such as CASTEP and DMOL. These capabilities will be illustrated by reference to a number of examples that are being studied using this technology. In this webinar you will learn:

  • How to design systems faster and with more flexibility using the MS builder tools
  • Analyze systems intrinsic and extrinsic behavior using the state of the art MS simulation tools
  • Investigate the statistical significance of models and effects using the MS QSAR tools

  Request the "Materials Modeling and Simulation for Nanotechnology" Webinar Recording

  Investigating Optical Properties with Materials Studio 5.5

  Accelrys’ George Fitzgerald explains how density functional theory (DFT) provides a widely used universal framework for calculating electronic properties. Materials Studio 5.5 extends this to optical spectra of molecules with the implementation of Time-Dependent DFT (TDDFT) in DMol3. The inherent speed of DMol3 makes it possible to predict optical spectra for molecules with even 100s of atoms in reasonable amount of CPU time. The webinar includes a brief overview of the TDDFT method with focus on the implementation in DMol3. Results for a variety of molecular systems were presented with a comparison of the various TDDFT approximations, results, and CPU requirements.

  Request "Investigating Optical Properties with Materials Studio 5.5" Webinar Recording

  Simulation of Laser Induced Modification of Vitreous Silica
  

  Jim Dickinson from Corning explains femtosecond laser pulse induced structural changes in silica glass and their role in changing the refractive index of the glass have been investigated using ab initio molecular dynamics simulation. Femtosecond laser irradiation was simulated by raising the electron temperature to 25000 K and allowing the system (72 atom cell) to evolve freely for 300 fs. During the irradiation the average nearest-neighbor Si-O, Si-Si and O-O distances increase due to the weakening of bonds resulting from the thermalization of electrons. Diffusion of Si and O gives rise to a structure with 2- and 3-coordinated Si atoms in addition to non-bridging oxygens. These structural changes are almost completely recovered during post-irradiation evolution of the glass structure. However, there are persistent changes that involve the formation of three-coordinated Si atoms and non-bridging oxygens that correspond to the paramagnetic defect species of Si E' centers and non-bridging oxygen hole centers, respectively. These defects introduce energy levels within the band gap of silica glass giving rise to optical absorptions that increase the refractive index through a Kramers-Kronig mechanism.

  Transient absorption in silica is thought to be due to the formation of a new SiH species (SiH*, Smith et al., Appl. Optics, v. 39, 5778). A model to explain the results involves the reaction of H2 to produce a three coordinated oxygen (SiOHSi) and a 5-coordinated Si, with four Si-O bonds and one Si-H bond. This model predicts activation energies of H2 reaction similar to experimental values and also predicts the correct trends in the changes of absorption and Raman spectra upon irradiation.

  Request "Simulation of Laser Induced Modification of Vitreous Silica" Webinar Recording

  What's New in Materials Studio 5.5

  Learn about the latest version of Materials Studio, our high performance modeling and simulation software platform for chemicals and materials research. Materials Studio 5.5 enables scientists to explore design space more efficiently and effectively, in applications from alternative energy and opto-electronics to pharmaceutical development.

  Materials Studio 5.5 highlights include:

  • Improve experimentation efficiency with more, accurate predictions including non-linear properties
  • Reduce project time with faster methods for screening of materials and automation of tasks
  • Save time analyzing and communicating results with new visualization features

  Please fill out the form below to access the webinar recording:

  Request "What's New In Materials Studo 5.5" Webinar Recording

  Unraveling the Secrets of Graphene by Multiscale Simulations

  Graphene is one of the most exciting nano-materials at the moment from the perspective of applications based on graphene. On one hand, graphene has been predicted to be the ultimate material for the next generation of nano-electronics. On the other hand, graphene is the first truly two-dimensional material and the electrons behave as relativistic particles, even without being accelerated to the speed of light. These properties were theoretically predicted more than 60 years ago, but it has been difficult to synthesize single graphene sheets until recently.
  
  This presentation illustrates how modern simulation methods can be used to understand the influence of defects on the properties of graphene. The first part of the presentation covers how ab-initio methods combined with thermodynamics can be used to determine which defects might occur during the synthesis and subsequent processing such as oxidation. It is also shown how electronic structure calculations can be used to characterize the influence of these defects on the electronic properties of graphene and which implications it might have for device applications.
  
  The second part of the talk addresses how atomistic simulations can provide insight on the implications of the two-dimensionality for the stability of individual graphene sheets.

  Request "Unraveling the Secrets of Graphene by Multiscale Simulations" Webinar Recording

  PolyOne's Effective Use of Molecular Modeling During Nanocomposite Commercialization

  PolyOne utilized Accelrys' Contract Research Services team in order to utilize their advanced molecular modeling software and expertise to solve a real life problem encountered during the commercialization of montmorillonite nanocomposites.

  Hear how these two companies were able to successfully complete this project while working within the time and resource constraints of an industrial setting by leveraging advanced software and a team of flexible and knowledgeable scientists.

  Request "PolyOne's Effective Use of Molecular Modeling During Nanocomposite Commercialization" Webinar Recording

  Collaboration for Innovation: Enriching the Knowledge Pool

  This presentation covers some of the critical scientific challenges in industries such as energy, chemical, automotive, aerospace, microelectronics and consumer packaged goods.

  Examples in the areas of catalyst optimization, rational formulation designs, failure remediation and more, illustrate why enriching the knowledge pool is critical to innovation.

  Request the "Collaboration for Innovation" Webinar Recording

  Introducing the Materials Studio Collection

  The Materials Studio Collection for Pipeline Pilot (MSC) is a new software solution that provides sophisticated predictive analytics for materials properties, which can be captured and automated as part of more complex workflows for exploration of materials behavior.
  Join this webinar to learn more about the impact of modeling on the R&D process and how the Materials Studio Collection can help you reduce your workload and increase productivity by:

  • Creating multi-step workflows with easy graphical programming
  • Accelerating throughput by automating calculations and utilizing new parallel processing options
  • Generating reports including interactive visualization of materials
  • Deploying essential functions as web-based applications across the organization

  Request the "Materials Studio Collection" Webinar Recording

  Customer Case Study: Fuel Cell Catalyst Discovery with the Materials Studio Collection

  Early uses of the Materials Studio Collection have already demonstrated the value of the solution for more rapid materials discovery and optimization. Join us to hear successful project results from Johnson Matthey.

  Replacing the commonly used Platinum catalysts in fuel cell applications to save costs while still meeting tough requirements regarding activity and stability presents a serious challenge.

  Atomistic modeling techniques have been demonstrated to provide useful information, rationalizing catalyst behavior, but have rarely been used as a predictive tool for materials optimization, complimentary to materials experimentation, which would save resources and shorten development-to-product cycles.

  Towards this goal, an integrated high-throughput calculation, analysis and decision support framework has been developed. The system is based on Pipeline Pilot with the Materials Studio Collection. It combines detailed information of the atomic and electronic structure of specific compounds with the ability to scan through a large number of material combinations. In this webinar, we will discuss project results including the observed structure – activity relationships and the applicability of various descriptors for high throughput screening of catalysts, as well as the various benefits regarding productivity and collaboration across simulation and experiment.

  Request the "Fuel Cell Catalyst Discovery with the Materials Studio Collection" Webinar Recording

  Materials Modeling in Pharmaceutical Development

  Polymorphic form selection and form characterization are key activities in pharmaceutical development. They play a vital role in supporting regulatory approval, IP protection, as well as scale-up aspects such as manufacturability, shelf life, bioavailability and solubility. For example, recently co-crystal design has received an enormous amount of attention as a potential route to overcome solubilities issues present in many modern APIs. This webinar will review how modeling and simulations can supplement experimental research in pharmaceutical development by means of virtual polymorph screening techniques, prediction of crystal habits, and computational analysis of PXRD data.

  Request the "Materials Modeling in Pharmaceutical Development" Webinar Recording

  Workflow Automation Using MaterialsScripts

  MaterialsScript is the automation language for Materials Studio, Accelrys' comprehensive materials modeling and simulation suite of applications. You can use MaterialsScript to run many of the operations of Materials Visualizer and control several Materials Studio modules. Using MaterialsScript you can automate repetitive and complex tasks, and build up workflows to predict properties that were previously inaccessible.

  Following a brief introduction to MaterialsScript, we will give an overview of some of the scripts posted on the Accelrys Community forum, including an in-depth examination of a MaterialsScript designed to automate mesoscale calculations.

  Request the "Workflow Automation Using MaterialsScripts" Webinar Recording

  High-throughput Quantum Chemistry and Virtual Screening for Lithium Ion Battery Electrolyte Materials

  The use of virtual structure libraries for computational screening to identify lead systems for further investigation has become a standard approach in drug discovery. Transferring this paradigm to challenges in material science is a recent possibility due to advances in the speed of computational resources and the efficiency and stability of materials modeling packages. This makes it possible for individual calculation steps to be executed in sequence comprising a high-throughput quantum chemistry workflow, in which material systems of varying structure and composition are analyzed in an automated fashion with the results collected in a growing data record. This record can then be sorted and mined to identify lead candidates and establish critical structure-property limits within a given chemical design space. To-date, only a small number of studies have been reported in which quantum chemical calculations are used in a high-throughput fashion to compute properties and screen for optimal materials solutions. However, with time, high-throughput computational screening will become central to advanced materials research.

  In this presentation, the use of high-throughput quantum chemistry to analyze and screen a materials structure library is demonstrated for Li-Ion battery additives based on ethylene carbonate (EC).

  Request the "High-throughput Quantum Chemistry and Virtual Screening for Lithium Ion Battery Electrolyte Materials" Webinar Recording

  Atomic-Scale Insights Into Materials for Clean Energy

  Fundamental advances in materials for energy conversion and storage are crucial in addressing the global challenge of cleaner energy sources. This webinar will discuss the valuable role that modern computational techniques play in providing deeper fundamental insight into materials for fuel cells and rechargeable batteries. Examples will be provided on topical materials and key fundamental properties will be examined, including mechanisms of ion migration, dopant defect association, and surface structures and crystal morphologies.

  Our speaker, Professor Saiful Islam, is a Professor of Computational Materials Chemistry at the University of Bath. In 2008 he was awarded the Francis Bacon Medal – Fuel Cell Science award from the Royal Society of Chemistry. Learn more about Professor Islam at: http://people.bath.ac.uk/msi20/

  Request the "Atomic-Scale Insights Into Materials for Clean Energy" Webinar Recording

  Exploring New Fuel Cell Materials: High Throughput Calculations and Data Analysis with Materials Studio 5.0 and Pipeline Pilot

  The integration of Materials Studio applications such as CASTEP and the Pipeline Pilot platform opens a range of new possibilities for the discovery of new materials. Using Pipeline Pilot, it is possible to automate routine calculations; create web-based services to perform calculations; and integrate CASTEP calculations into large, complex workflows, where DFT is just one part of the solution. This approach will be discussed in detail and illustrated with an application of improved fuel cell oxidation catalysts.

  Request the "Exploring New Fuel Cell Materials: High Throughput Calculations and Data Analysis with Materials Studio 5.0 and Pipeline Pilot" Webinar Recording

  Materials Studio 5.0: Spectroscopy methods in CASTEP

  CASTEP simulates the properties of solids, interfaces, and surfaces for a wide range of materials including ceramics, semiconductors, and metals using plane-wave density functional theory. In particular, CASTEP can be used to predict certain types of spectroscopy, including core level spectroscopy (e.g. EELS), and with Materials Studio 5.0 also Raman intensities for solid-state materials and molecules. Raman is frequently used as a tool for probing the chemistry of in situ experiments. It is valuable since it can characterize both a solid substrate and molecular fragments. Interpretation of the spectra though is sometimes ambiguous. The ability to predict Raman spectra for these systems will aid experimentalists in interpreting the spectra and understanding the chemistry of these systems in detail.

  An overview of spectroscopy methods available in CASTEP will be given, with a particular focus on the theory and implementation of Raman spectroscopy in CASTEP. Several examples that demonstrate the usefulness of this approach will be presented.

  Download the "Materials Studio 5.0: Spectroscopy methods in CASTEP" Presentation Slides

  Materials Studio 5.0: Use Cases for Polymer Scientists

  Materials Studio 5.0 includes several modules with enhancements of interest to Polymer Scientists. The Amorphous Cell tool has new functionality such as the "Packing" task and increased flexibility. Also, exposure through MaterialsScript enables full automation of polymer workflows. Equally, the new DPD functionality in Mesocite extends the mesoscale modeling functionality to a new series of properties. This webinar will give an overview of the new tools and show example applications.

  Download the "Materials Studio 5.0: Use Cases for Polymer Scientists" Presentation Slides

  What's New in Materials Studio 5.0

  With a focus on performance and property prediction, Materials Studio 5.0 gives a unique opportunity to shorten your time to solution. This webinar will highlight the new functionality in the following areas:

  • Quantum mechanics - new CASTEP property prediction and new ONETEP performance improvements
  • Classical simulations - performance improvements with new parallel Forcite and Mesocite and brand new Amorphous Cell with improved functionality and flexibility
  • Advances in Nanotechnology Consortium tools
  • Materials Studio on Pipeline Pilot

  Request the "What's New in Materials Studio 5.0" Webinar Recording

  Connecting Molecular Modeling with Engineering: First Principles Kinetic Modeling in Catalysis

  Learn how to connect molecular modeling with real process conditions by bridging the gap between the atomistic and macroscopic/engineering levels. As an expert in the field, Prof. Matthew Neurock of the University of Virginia will be presenting how molecular modeling can be connected with the engineering scale using Kinetic Monte Carlo. The basics of the method and important industrial examples related to catalytic processing will be presented.

  Request the "Connecting Molecular Modeling with Engineering" Webinar Recording

  X-Ray Diffraction Analysis - Accessible throughout Your Organization

  High quality computational tools are an invaluable resource for the analysis of powder X-ray diffraction data. These tools can be used to access important information about a sample, such as phase identity, mixture composition, and the degree of crystallinity of a sample. View this webinar to learn more about new solutions that will help you:

  • Utilize high-quality computational tools for the analysis of power x-ray diffraction data
  • Create and automate workflows that can be shared throughout an organization
  • Provide non-expert users with sophisticated analysis tools via web deployment
  • Integrate algorithms and applications to create truly customized solutions

  Request the "X-ray Diffraction Analysis" Webinar Recording

  
  
  

  Successful Chemicals and Materials Design Webinar Series

  Design and Optimization of Catalysts: Using Molecular Modeling to Improve Performance

  Molecular modeling has proven to be an effective tool in the design and optimization of catalysts. Modern modeling approaches are applicable to virtually all catalyst materials such as metallocenes, metal oxide surfaces, or zeolites. This webinar will provide an overview of the ways that chemical companies have benefited from using molecular modeling to understand reactions and improve catalysts. Attendees will get an overview of the methods available, as well as examples of how they can be applied to challenging industrial research problems. Specific case studies will be taken from across the chemical industry, including segments like petrochemicals, performance polymers, coatings, and fine & specialty chemicals.

  Best Practices in Molecular Modeling

  The webinar, presented by Dr. Anne Chaka, the Division Chief for Computational Chemistry at the National Institute of Standards and Technology in Gaithersburg, Maryland, shows you how organizations have succeeded or failed in their use of modeling. This presentation shows you how you can use modeling to solve the R&D challenges that are important to your organization.

  Request "Successful Chemicals and Materials Deisgn" Webinar Recordings

  Let Today’s Technology Help You Develop Tomorrow's Drugs

  Learn how the joint Accelrys and HP scientific computing solution can help speed up the drug development process, as proven by success stories in organizations such as AstraZeneca, Bristol-Myers Squibb, Merck, Sanofi-Aventis, Taiho Pharmaceutical, Transform Pharmaceuticals, and more.

  Request the "Let Today’s Technology Help You Develop Tomorrow's Drugs" Webinar Recording

  Materials Studio Application Example Webinars

  The Materials Studio software environment brings the world's most advanced and validated materials simulation technology to desktop computing, solving key problems throughout the R&D process. Learn more about the potential applications of this solution in this series of webinars.
  View Webinar Abstracts

  Request the "Materials Applcation Example" Webinar Recordings

  
  
  

  Life Science Modeling and Simulation

  What's new in Discovery Studio 3.1

  The latest release of Accelrys’ Discovery Studio 3.1 builds on the new release of Pipeline Pilot 8.5, providing enhanced scalability and job parallelization capabilities to modeling and simulation studies. This webinar will provide an overview of the new functionality available in the latest release, including new market-leading tools to predict both the sites and propensity to aggregate in therapeutically important proteins. Furthermore, we will also showcase enhancements to our free collaboration and visualization tools, further helping scientists to efficiently and effectively share key modeling results with research colleagues.

  Request the "What's new in Discovery Studio 3.1" Webinar Recording

  Computational Scanning Mutagenesis of Proteins and Protein Complexes

  Understanding the effect of mutation to protein stability and on protein binding affinity is key to designing protein therapeutics and also to explaining the effect of naturally occurring mutations to biological events. We present two novel CHARMm-based computational protocols to calculate the free energy changes of protein stability and binding affinity resulting from amino acid substitutions1. In contrast to existing published methods, the temperature dependence of energy contributions is included in the physical model. This is known to be important in understanding and improving the thermal stability of proteins. Furthermore, the use of Generalized Born solvation model with implicit membrane2 makes the methods applicable to transmembrane proteins. The calculations are fast and automated so that not only alanine scanning, but complete amino acid scanning can be performed on large set of residues easily. Validation results and possible application of the method for the purposes of protein design and bioinformatics are discussed.

  Request the "Computational Scanning Mutagenesis of Proteins and Protein Complexes" Webinar Recording

  New Tools for Identification and Analysis of Protein Aggregation Using Discovery Studio

  In the growing area of biologics discovery and development, protein aggregation has become a key area of focus for the successful transition of a therapeutic candidate from the lab into the clinic. Unfortunately, aggregation and protein instability are not unexpected events when molecules are subjected to high stress environments such as room temperature long term storage at high concentration levels, which are requirements for biological drug formulation. So to create molecules that can withstand such stressful environments while retaining their therapeutic properties, scientists need access to tools that can fully characterize and provide molecular functional insights for their molecules of interest.

  In this webinar, we will showcase  a new module in Discovery Studio dedicated to the identification of sites of aggregation using the experimentally validated Spatial Aggregation Propensity algorithm developed by Prof. Trout at MIT. In the webinar we will provide some examples of the type of analysis that we can now do with a long term goal of helping design better biological molecules.

  Request the "New Tools for Identification and Analysis of Protein Aggregation Using Discovery Studio" Webinar Recording

  Sharing and Visualizing Science for Free with Accelrys - New Enhancements to DS ActiveX Control

  In today’s fast-paced research environment, sharing and visualizing modeling results is an increasingly essential part of the discovery workflow.  Indeed, collaborating research teams can be geographically distant, adding to the challenge of effectively communicating key research findings.  With the latest release of Discovery Studio (DS), version 3.1, Accelrys has significantly updated it’s free accompanying visualization software, to fully support all the latest rendering and Storyboard enhancements in DS3.1.  In this webinar, learn how the latest release of our free 3D visualization plug-in, DS ActiveX Control can be leveraged to successfully share and communicate results.

  Request the "Sharing and Visualizing Science for Free with Accelrys - New Enhancements to DS ActiveX Control" Webinar Recording

  Recent Advances in GOLD and its Implementation Within Modeling Workflows via Discovery Studio

  Recent advances in the GOLD docking program include a new scoring function, ChemPLP, and ensemble docking, which allows the user to efficiently dock against multiple models of the target protein, thus taking account of protein flexibility.

  We will describe both these enhancements and present validation data showing how their use might benefit your bioactive discovery program.  We will also demonstrate how the Discovery Studio interface can be used to quickly and easily set up ensemble docking GOLD protocols and farm the jobs off into the cloud environment.

  Request the "Recent Advances in GOLD and its Implementation Within Modeling Workflows via Discovery Studio " Webinar Recording

  Integration of Cresset's FieldStere within Discovery Studio 3.0

  FieldStere from Cresset identifies novel bioisosteric analogues of ligands of interest, using field-based similarity of fragments. Through the Accelrys Partner Program, Pipeline Pilot protocols have been developed that allow set-up, execution and analysis of results from FieldStere calculations within Discovery Studio 3.0. We will show the use of this integration, and how Discovery Studio 3.0 can be used to add further value through seamless application of subsequent computational analysis on the initial result set.

  Request the "Integration of Cresset's FieldStere within Discovery Studio 3.0 Webinar " Webinar Recording

  Integration of Molecular Discovery's GRID within Discovery Studio 3.0 Webinar

  GRID from Molecular Discovery has been applied in the field of structure-based drug design for over 25 years. Applications of GRID Molecular Interaction Fields range from physicochemical property prediction, virtual screening, ADME modeling, site of metabolism prediction, in addition to optimization of potency and selectivity through structure-based design or 3D QSAR techniques.  Through the Accelrys Partner Program, prototype Pipeline Pilot protocols have been developed that allow set-up, execution and analysis of results from GRID calculations within Discovery Studio 3.0. In this webinar we will discuss how and why GRID can aid your structure-based design program: the integration with Discovery Studio enables streamlined access to this science within a familiar interface, analysis of results within Discovery Studio offers potential for further value through integration with other tools and calculations.

  Request the "Integration of Molecular Discovery's GRID within Discovery Studio 3.0 Webinar " Webinar Recording

  The Antibody Humanization Process by CDR Grafting

  The transfer of antigen binding loops from a non-human antibody donor to a human framework must be performed so that the native loop conformations are retained for binding. Often, antigen binding affinity is greatly reduced or abolished after CDR grafting. This binding activity is only restored after reverting one or more human framework residues to donor equivalents in the humanized antibody. The identification of critical framework residues that contribute to CDR conformation represents the most difficult and unpredictable step in the antibody humanization process. Here antibody modeling procedures and sequence analysis are described to assist the selection of framework mutations in the antibody humanization process.

  Request "The Antibody Humanization Process by CDR Grafting" Webinar Recording

  Discovery Studio 3.0 /Pipeline Pilot 8.0 Integration

  Discovery Studio is built on Pipeline Pilot platform technology. It is therefore possible for scientists to access any computational codes available in Discovery Studio at the Pipeline Pilot level. We will show through examples how scientists can customize or build their own protocols to automate tasks and meet precise needs.

  Request the "Discovery Studio 3.0 /Pipeline Pilot 8.0 Integration " Webinar Recording

  Automatic Creation and Validation of Pharmacophores Derived from Receptor-Ligand Complexes

  A pharmacophore is a model which represents the key physico-chemical interactions, between a receptor target and ligand, that mediate biological activity. In DS 3.0 users can automatically create a series of pharmacophore models representing a receptor-ligand complex, and have these validated with known active and inactive compounds to determine the best pharmacophore for hit/lead identification.

  Request the "Automatic Creation and Validation of Pharmacophores Derived from Receptor-Ligand Complexes" Webinar Recording

  An Introduction to Discovery Studio 3.0

  The release of Accelrys’ Discovery Studio 3.0 in November extends our portfolio of small molecule drug design and market leading biological simulation tools and is focused on bringing new science from Accelrys and our partners, improved performance, and key enhancements to our users. This webinar will introduce users to key enhancements within the client designed to improve usability and encourage collaboration, as well as providing an overview of the new scientific developments.

  Request the "Introduction to Discovery Studio 3.0" Webinar Recording

  Webinar Series: Scientific Advances in Discovery Studio 2.5

  Learn how to improve your drug discovery research in this complimentary webinar series. Choose from eight different webinars delivered by leading researchers, academics and Accelrys scientists and discover:

  • How scientists are solving computational drug discovery problems in the industry
  • About the latest trends and modern methods in lead identification and optimization 
  • How you can access and use a combination of computational chemistry and biology tools, and effectively communicate your findings to your group
  • How you can introduce and use CADD as an educational tool in academia

  View webinar titles and abstracts & request recordings

  Discovery Studio 2.1: New Science and Customized Workflows for Drug Discovery Research.

  Leverage innovative science with an unrivaled ability to easily integrate any third-party algorithm or a relational database, and develop powerful solutions that are ideally tailored to fit your research workflow. Discovery Studio 2.1, the most advanced computational drug discovery environment available, features significant new science and usability enhancements. Access a novel QM/MM method for refining docked poses and optimizing specialized interaction motifs such as cation-pi interactions. Learn about enhanced capabilities to easily customize DS workflows with an unprecedented level and quality. Join Accelrys scientists for this exciting seven-part webinar series as they present the latest scientific advancements and usability upgrades available to help excel your drug discovery research.

  View webinar titles and abstracts & request recordings

  Scientific Advances in Discovery Studio 2.0 : Webinar Series

  Access all the tools you need for drug discovery in one place. Learn how you can access every tool you need for drug discovery in a single, easy-to-use environment with Discovery Studio 2.0. This milestone release includes a number of new scientific algorithms for tasks such as: pk prediction for proteins, rational flexible docking, fragment-based design and activity profiling, QSAR, protein-protein docking, and more. Join Accelrys scientists as they unveil the cutting-edge scientific advances available in Discovery Studio 2.0, the most sophisticated suite of modeling and simulation tools ever assembled. View Webinar Abstracts

  Request the "Scientific Advances in Discovery Studio 2.0" Webinar Recordings

  Informatics: Cheminformatics, Bioinformatics, Biological Registration and Materials Informatics

  Enhancing Productivity of Internal and Externalized Research through Integrated Cheminformatics Systems

  Cheminformatics applications provide a means for scientific research companies to increase the efficiency and effectiveness of their discovery projects by ensuring that their scientists have straightforward and timely access to all available data from across the organizations allowing them to make better decisions faster. The Accelrys Cheminformatics Suite is a set of applications that let users register, search, mine and analyze information on chemical structures and reactions, chemically modified sequences and associated data such as inventory, assay and analytical results.

  The suite also enables the sharing of information between collaborators and CROs as part of multi-company discovery projects. This is increasingly important as discovery research has become an externalized process in which research is conducted across a network of research scientists that are in-house, at academic and research institute collaborators and at contract research organizations (CROs). In these collaboration networks chemical synthesis, biological assay development and execution, safety assessment and all other aspects of the process may all be conducted by different organizations. The nature of the collaborations is also changing from “fee-for-service” to collaborative development of IP. These expanding collaboration networks present significant IT challenges as data must be exchanged between partners in the collaboration quickly and securely to allow the projects to proceed as efficiently as possible.

  In this webinar we will introduce the Accelrys Cheminformatics suite and show how it has been used to increase the efficiency of the research process. We will cover the following recently announced products:

  • Accelrys Chemical Registration is an intuitive, easy-to-use, web-based application that supports zero-install deployment. Graphically built Pipeline Pilot protocols make the application easy to configure and extend to satisfy business and application requirements. Built-in web service capabilities streamline scientific workflows by enabling scientists to register molecules directly from other software applications including Electronic Lab Notebooks. The underlying architecture supports fast and easy database schema configuration, making it possible for research IT to configure additional attributes for chemical entities without having to customize the database and application.
  • HEOS® by SCYNEXIS is a SaaS based solution for collaborative drug discovery now being sold by Accelrys. HEOS is a cloud-based workspace in which multiple, disparate companies, academic collaborators or CROs can exchange scientific data securely and in real-time. By using HEOS, project teams across all organizations can have instant access to information that they are authorized to see about their projects. For companies managing collaboration networks, individual partners can be spun-up and down very quickly as the collaboration network changes, and collaboration data is kept separately from internal research data until such time as it is appropriate to bring it back into in-house systems.

   

  Request the "Enhancing Productivity of Internal and Externalized Research through Integrated Cheminformatics Systems" Webinar Recording

  Biological Data Management with the New Accelrys BioRails Products

  There is increasing pressure to improve the efficiency and reduce the cost of drug discovery and development processes. Due to the complexity of biological experimentation, this is especially acute across the biological disciplines, from early screening all the way to preclinical safety assessment. In this webinar we shall overview the new Accelrys BioRails DM and BioRails PTO products, which provide an integrated data management system that adopts a workflow approach based on a request-action-decision paradigm. We shall present a set of use cases in which the BioRails products are used for a range of activities from HTS to ADME to analytical testing, showing how the system can be used to request, schedule and execute biological experiments whilst recording key performance indicators. We will also discuss the benefits of leveraging this technology with the Symyx Notebook by Accelrys.

  Request the "Biological Data Management with the New Accelrys BioRails Products" Webinar Recording

  Configuring Accelrys Chemical Registration 3.0

  In this webinar we will describe and demonstrate the configuration options that are available within the all new Accelrys Chemical Registration system. System administrators and registration curators will be shown how to;

  • Manage users and set their privileges
  • Configure chemical structure business rules, salts, and solvents
  • Set mandatory fields in the user interface
  • Add property calculators to the system
  • Configure vocabularies

  Request the "Configuring Accelrys Chemical Registration 3.0 " Webinar Recording

  Introducing Accelrys Direct 8.0

  In this webinar we will describe the new features that are included in Accelrys Direct 8.0.

  New Chemical Representation features:

  • New bond types:
  • Haptic bond
  • Variable bond
  • Coordination/Dative bond
  • Hydrogen bond
  • Non Specific Structure (NONS); an extension to the current Markush structure storage capabilities
  • Markush Homology groups
  • Structure defining formula
    Usage scenarios for these features will be described. In addition a number of performance enhancements have been incorporated into Accelrys Direct 8.0.
  • Multi-threading for substructure searches (SSS)
  • Turboboost

  These technologies facilitate the searching of large databases and this release has been validated against a database containing 100 million structures
  

  Request the "Introducing Accelrys Direct 8.0 " Webinar Recording

  Demonstration of the Accelrys Experiment Knowledge Base (EKB) in Formulations Science

  The demands on research and development in formulations science are relentless - get to market quickly, improve product quality, increase environmental-friendliness, and at the same time create formulations that scale from the lab to commercial manufacturing without a hitch.  Formulation scientists have "hit the wall" with traditional LIMS and informatics systems, and are increasingly looking for ways to bring together all aspects of experimentation into a single formulations system that helps them to do it all.
  
  Attend this second webcast in the series of Formulation Science to see EKB in action to address real-world formulations challenges.  Dr. Michael Doyle, Principal Scientist and Director of Product Marketing at Accelrys will demonstrate EKB in the context of the challenges faced every day by formulations scientists and answer questions from the audience.
  
  The Experiment Knowledge Base (EKB) by Accelrys is a Packaged Professional Services solution designed to guide materials experimentation by allowing users to intelligently plan, execute, analyze and manage experiments. EKB also extracts, transforms and loads data from previous experiments and other systems, thereby making laboratories more productive, more effective in developing innovative materials and more sustainable both environmentally and economically.

  Request the "Demonstration of the Accelrys Experiment Knowledge Base (EKB) in Formulations Science " Webinar Recording

  Introducing Accelrys Chemical Registration 3.0

  In this webinar we will introduce the all new Accelrys Chemical Registration system. Registration is an essential informatics task in the research and discovery cycle that captures which compound(s) have been made and whether they are novel (unique) or are new lots (instances) of a compound that has already been synthesized or purchased by that organization in the past.

  By attending this webinar,

  • Medicinal and synthetic chemists will learn how Accelrys Chemical Registration provides a simple and intuitive way to register the compounds that they have made.
  • Research and development managers will learn that how they can use the system to ensure that the IP around their project’s compounds is protected and how they can easily monitor the registration activities of their teams
  • Research IT and cheminformatics specialists will learn how the system provides significant benefits in implementation, configuration and maintenance including
  • Zero install deployments through the use of interactive web clients
  • How to provide collaborator and CRO access with minimum configuration through the use of the web clients
  • How the system is easy to maintain and extend through configuration and application extension using graphical programming within Pipeline Pilot protocols rather than coding
  • How the provision of Web Service APIs allow simple integration of registration functionality into other applications and user interfaces such as an ELN

  Request the "Introducing Accelrys Chemical Registration 3.0 " Webinar Recording

  Introducing HEOS® by SCYNEXIS – a cloud-based collaborative drug discovery workspace

  Today, pharmaceutical and biotech companies drug discovery research has become an externalized process in which research is conducted across a network of research scientists that are in-house, at academic and research institute collaborators and at contract research organizations (CROs). In these collaboration networks chemical synthesis, biological assay development and execution, safety assessment and all other aspects of the process may all be conducted by different organizations. The nature of the collaborations is also changing from “fee-for-service” to collaborative development of IP. These expanding collaboration networks present significant IT challenges as data must be exchanged between partners in the collaboration quickly and securely to allow the projects to proceed as efficiently as possible.

  In this webinar Accelrys will introduce HEOS® by Scynexis- a SaaS based solution for collaborative drug discovery now being sold by Accelrys. HEOS is a cloud-based workspace in which multiple, disparate companies, academic collaborators or CROs can exchange scientific data securely and in real-time. By using HEOS, project teams across all organizations can have instant access to information that they are authorized to see about their projects. For companies managing collaboration networks, individual partners can be spun-up and down very quickly as the collaboration network changes, and collaboration data is kept separately from internal research data until such time as it is appropriate to bring it back into in-house systems.

  Request the "Introducing HEOS® by SCYNEXIS – a cloud-based collaborative drug discovery workspace " Webinar Recording

  Sustainable Research & Development

  Join Accelrys and guest speaker Kimberly Knickles, Director, IDC, as she examines the issue of Sustainable Manufacturing and its impact on Research and Development. Kimberly and Accelrys Sr. Director Ted Pawela will highlight current sustainability issues and trends affecting chemists, materials scientists and R&D managers, including:

  • The impact of environmental concerns on business, IT and R&D technology
  • The connection between financial and environmental sustainability
  • A status check on the progress manufacturers have made in greening their products and processes
  • An examination of how leading manufacturers are using sustainability to drive cost savings, efficiency improvements, innovation, and business opportunities

  Request the "Sustainable Research & Development" Webinar Recording

  The New Accelrys LEA 8.3 Overview

  This webinar provides an overview of the latest LEA (Lab Execution and Analysis) 8.3 enhancements from Accelrys. The LEA 8.3 suite delivers many new features including new spectral visualization and analysis capabilities that accelerate sample analytics and reporting in microscale, parallel, automated experimentation. This webinar is recommended for current LEA users and licensees.

  Request the "The New LEA 8.3 Overvew" Webinar Recording

  New Isentris 3.3- Delivering Visualization and Experiment Analysis Capabilities for Decision Support

  Most chemists are comfortable with using forms-based interfaces to interrogate data from chemistry databases. Accord Database Explorer 3.0 (ADE 3.0) is a fully-supported database client from Accelrys that provides you with a dynamic, forms-based interface to browse, query and edit your own databases. You will be able to access multiple databases either locally or centrally, therefore enabling a slow transition to a more centrally organized infrastructure, while keeping essential content data locally. Join us to learn how the intuitive, easy-to-learn, and highly configurable ADE 3.0 offers a number of key features that enable you to get the most from your data.

  Request the "New Isentris 3.3- Delivering Visualization and Experiment Analysis Capabilities for Decision Support" Webinar Recording

  Introduction to Accelrys Biological Registration

  Most chemists are comfortable with using forms-based interfaces to interrogate data from chemistry databases. Accord Database Explorer 3.0 (ADE 3.0) is a fully-supported database client from Accelrys that provides you with a dynamic, forms-based interface to browse, query and edit your own databases. You will be able to access multiple databases either locally or centrally, therefore enabling a slow transition to a more centrally organized infrastructure, while keeping essential content data locally. Join us to learn how the intuitive, easy-to-learn, and highly configurable ADE 3.0 offers a number of key features that enable you to get the most from your data.

  Request the "Intro to Accelrys Biological Registration" Webinar Recording

  The Biology of Registration: Science vs. Process

  Registration revolves around a seemingly simple question, namely, "What is this thing, and is this thing unique?" In registration of small molecules, this is a fairly simple question because there are generally accepted and well developed standards describing the exact structure of chemical entities and therefore their identity. However, when moving into the biological realm, there is a distinct lack of agreement on what makes two biological entities the same or different. For example, if a protein is expressed in two different cell lines, one scientist may consider them to be the same thing because they share the same amino acid sequence while another scientist may consider them to be different because of different glycosylation patterns. Similarly, in working with cell lines, it is generally accepted that any time a cell line is passaged, it is somewhat different from its parent. However, for practical reasons, many scientists will consider the new batch of cells to be the same as the batch from which they were derived. Of course there are other situations, such as putting a cell line through a limiting dilution, where the individual clonal populations are all considered to be unique.

  What these realities of biological entities demonstrate is that, unlike the world of small molecules, rules for identity can be more fluid, and dependent on the needs of specific end-users. As such, a biological registration system must be flexible enough to accommodate different business rules for different needs, yet maintain a reliable backend infrastructure that allows the system to be maintained, supported, and updated. In this talk we will explore this intersection between biological fact and laboratory practice and its influence on how the Accelrys Biological Registration system works, as well as look forward and outline a way to incorporate these hard-learned lessons into future entities or customization of existing entities.

  Request The "Biology of Registration: Science vs. Process" Webinar Recording

  Getting the most out of your chemistry databases with Accord Database Explorer 3.0

  Most chemists are comfortable with using forms-based interfaces to interrogate data from chemistry databases. Accord Database Explorer 3.0 (ADE 3.0) is a fully-supported database client from Accelrys that provides you with a dynamic, forms-based interface to browse, query and edit your own databases. You will be able to access multiple databases either locally or centrally, therefore enabling a slow transition to a more centrally organized infrastructure, while keeping essential content data locally. Join us to learn how the intuitive, easy-to-learn, and highly configurable ADE 3.0 offers a number of key features that enable you to get the most from your data.

  Request the "Accord Database Explorer 3.0" Webinar Recording

  How to Build Your Own Cheminformatics System: Meeting Your Needs, Putting You in Control

  This webinar provided an introduction to Accord tools and components, showing you how to customize in-house applications to deal with chemistry or tailor your cheminformatics software to proprietary data types and applications.

  Request the "How to Build Your Own Cheminformatics System" Webinar Recording

  Chemistry by Accord Webinar Mini Series

  With Accord, software applications become chemically-intelligent. Three themed webinars are available for anybody who uses chemical data:

  • Chemistry and Excel - Extend the Range of your Calculations and Analysis Tools.
  • Improving Productivity in the Laboratory - Chemically-intelligent Informatics Tools and Databases.
  • Customizing and Deploying Chemistry-enabled Interfaces with the Accord Enterprise Webkit.

  Request the "Chemistry by Accord Webinar Mini Series" Webinar Recording

  
  
  

  Sustainability: A Definition & Roadmap for Chemistry & Materials Science

  Sustainability gets plenty of buzz today from the boardroom to the business journals - but what does it mean to chemists and materials scientists? Register for this on-demand webinar which provides a practical guide to the scientific challenges of sustainability and proposes tangible approaches to overcoming those challenges, covering topics such as Energy Science, Green Chemistry, Molecular Science and Sustainable Laboratory Operations.

  Request the "Sustainability: A Definition & Roadmap for Chemistry & Materials Science " Webinar Recording