This technology brief reviews recent initiatives to develop and deploy informatics software that spans the lab-to-commercialization lifecycle to streamline technology transfer and improve operational excellence. The brief also addresses the usefulness of a unified, scientifically aware platform in accomplishing technology handoffs and the importance of consistent, standardized data and process management procedures.
Electronic Lab Notebooks
Selecting An electronic lab notebook:
7 things you must know
To help you make a successful ELN selection, download this free, quick guide. Learn how to determine between fact and fiction during pre-purchase demonstrations and other engagements with ELN providers. Ensure that your ELN will maximize the value of the information you capture and scale to meet your cost, resource, performance and business requirements over the course of your notebook deployment.
GARTNER REPORT: Manufacturers Must Consider Scientific
Domain Expertise During ELN Selection
Recently, the Accelrys Electronic Lab Notebook was rated "Very High" by Gartner in chemistry and "High" in biology, formulation, engineering, GxP and TransMed in a report titled, Manufacturers Must Consider Scientific Domain Expertise During ELN Selection, published January 11, 2013.
The report finds that: “ELN users report that the vendors that have lacked domain expertise often rely on excessive customization, which adds to downstream complexity. Vendors have strengths and weaknesses in certain disciplines.”
Key 2013 Gartner report findings: “Manufacturing companies that neglect matching electronic laboratory notebook scientific domain strengths run the risk of implementing systems that don't meet scientific and business needs.”
"While end-user functionality is diverse among the different enterprise vendors, many carry unique strengths, and most can be "adapted" to work in most functional areas covered, but require different levels of customization or configuration."
The Role of the Electronic Lab Notebook within the
Research to Manufacturing Lifecycle
The role of the ELN within research is to provide scientists with an environment where they continue to have an efficient notebook to capture IP, providing the freedom to explore, create and develop new theories and ideas. With paper lab notebooks there is a considerable inefficiency in is what is commonly referred to as an “arts and craft project of paper, sticky-tape and glue.” Alone, the removal of manual paper based note-booking is estimated to provide 20 percent efficiency improvement in documentation. Additionally, with information transcribed to an electronic format, scientists can quickly search past experiments across their electronically networked community of researchers. The resulting improved access to experiment information enables scientists to avoid unnecessary repeats and to gain insight from past experimentation.
Download this whitepaper and learn what to look for when selecting an ELN and how different functionalities can electronically connect scientists, information and software from early research to manufacturing execution.
In the past ten years, the electronic lab notebook (ELN) has moved from nascent technology to a mainstream laboratory chemical informatics platform. Deploying an ELN has a transformational effect on the way research is performed. The ELN touches more than just the laboratory. Anyone who creates, reviews, mines or manages research and research data will eventually use the ELN and the information it contains. As such, planning and deploying an ELN must address the disparate needs of many potential users. This requires a methodical approach in planning and executing the deployment project. This Scientific Computing eBook examines best practices in ELN implementation.
Confused by ELNs? Learn everything you need to know before investing in ELNs.
From the publishers of Scientific Computing World, Getting Started With An Electronic Laboratory Notebook is the perfect introductory guide for any facility considering an investment in ELN technology. Written by respected informatics consultant John Trigg, the 40-page guide (updated February 2011) provides independent, jargon-free advice on what to look for when choosing an ELN solution, and what questions to ask your potential suppliers.
This guide, valued at GBP 39.95, is being offered to you at no charge courtesy of Accelrys.
Informatics-driven Quality by Design for Drug Development
The Pharmaceutical industry has been slow to adopt the regulatory Quality by Design (QbD) guidelines. However, leaner times are forcing Pharmas to change and optimize business practices. QbD focuses on better understanding the process and product attributes that affect product quality. A QbD strategy for Pharma supported by modern Informatics offers significant opportunities to lower compliance costs and improve product quality while delivering better therapeutic products, faster and at lower cost to patients. This whitepaper explores the Informatics journey and its role in driving QbD adoption within drug development.
Facilitating Rapid Analysis and Decision Making in the Analytical Lab
Competitive success requires research and development labs to make fast, accurate decisions about compounds and synthesis routes. Increasing amounts of data available in different formats from wide ranging sources make data collection, analysis, reporting, and distribution increasingly cumbersome, limiting, and time consuming. Automating each step of the process provides some assistance, but only by a complete integration of activities and resulting data can labs make the kind of improvements required to expedite results.
The Analytical Data Management solution from Accelrys provides such an integrated approach to laboratory process flow and analysis automation. The Accelrys solution manages a broad range of information, beginning with outputs from laboratory equipment to industry standard data stores. It compares and analyzes results, linking with the sophisticated processes of best-of-breed analytical tools, generates reports tailored for each level of audience throughout the organization, and presents the resulting information in portals or dashboards to ensure consistency and currency. This solution is helping Research & Development (R&D) organizations to make better informed decisions, faster and cheaper.
Transitioning to Symyx Notebook by Accelrys from
Third-Party Electronic Lab Notebooks
Ordinarily in a market with strong growth, vendors do not focus on competitive displacement of competitor products when the initial investment has been high and the transition entails signiﬁcant cost and risk However, Accelrys has been approached by several large customers who have non- Accelrys ELNs deployed in RED, who feel they need to investigate an alternative ELN and want to understand what it would take to transition to Symyx Notebook by Accelrys.
Traditional Laboratory Information Management System (LIMS) implementations are notorious for keeping people awake at night. Industry analysts like Strategic Directions and ARC Advisory Group have estimated the failure rate of commercial LIMS solutions to be as high as 60 percent with many of them failing to deliver original customer requirements after lengthy and expensive deployments.
Sleep-disturbing LIMS issues include sample-centric technology that inhibits your ability to manage change and organizational complexities, minimal "out-of-the-box" implementation, little integration with lab environment and other IT systems, excessive custom coding required before validation in your cGMP environment, lengthy implementation times and high ongoing total cost of ownership.
If you find yourself waking in a cold sweat, your mind racing with any of these common LIMS nightmares, you are not alone.
Download this White Paper to find technology answers to your bad LIMS dreams that can help you rest easier.
Six Essential Workflow Steps for Paperless, Automated,
End-to-end Environmental Monitoring
The consequences of microbiological contamination of drug products run the gamut from FDA warning letters through product quarantines and recalls all the way to plant shutdowns. Actions like these can cost drug manufacturers significant time and money, as well as resulting in manufacturing delays, product shortages and negative public opinion. This white paper discusses six critical workflow steps required for successful Environmental Monitoring (EM) under aseptic manufacturing conditions.
Traditional lot traceability approaches are not sufficient to enable upstream/downstream correlation analysis for Quality by Design (QbD). As QbD initiatives gain acceptance across life sciences process development and manufacturing organizations, there is an increased need to understand the dynamics of the critical portions of the process stream more fully.
Aegis Analytical (Now Accelrys) Delivers Process Intelligence
from Disparate Data Sources
Aegis Analytical provides an integrated manufacturing data management platform and advanced analytics that, together, enable companies in validated industries to improve operational efficiency, accelerate time-to-market, comply with regulatory requirements, and achieve lean supply chain. The company delivers manufacturing process intelligence by aggregating data, contextualizing the data through a data model, and providing appropriate analytics.
In ARC's view, Aegis' data integration approach is both a key strength and a unique differentiator. The approach leverages a company's existing manufacturing and IT systems through its ability to aggregate, on-demand, different data types from disparate sources and create end-to-end manufacturing context, insight, and intelligence. The company's knowledge and understanding of the regulated industries and its ability to provide a complete process intelligence solution in a single validated environment is another key strength.
Process Excellence - Five Critical Elements of Quality by Design
Life-science companies that adopt "quality by design" (QbD) into their overall operations are expected to achieve the "desired state" of manufacturing.
Today's new regulatory environment highlights innovative ideas regarding process development and manufacturing and forces us to think about the practicalities of implementing them. To achieve QbD, manufacturers need to carefully consider the role of five important areas: process understanding, design-space development, design for manufacturing, process improvements, and process upsets.
Process Intelligence: Bridging the Gap Between IT and Manufacturing
Today's manufacturers are constantly seeking information to better understand their processes as a means to improve product lifecycle management. They rely primarily on IT departments and systems to gather information, but often find that this information is difficult to gather and correlate, and that IT does not have the necessary resources to provide rapid responses to these requests. Often, manufacturing users must search through mountains of data leading to "spreadsheet madness" that ultimately do not provide an acceptable answer to the problem at hand. IT departments, meanwhile, are challenged to leverage legacy system investments and minimize implementation time, while providing the necessary information for Manufacturing teams.
Such "data challenges" clearly create a gap between IT and Manufacturing. The focus of this paper is on enabling process intelligence in a way that helps both IT and Manufacturing accomplish their goals - helping to bridge the gap between IT and Manufacturing teams.
For On-Demand Data Access, Investigational Analysis and Process
Understanding In Bioprocess Development and Manufacturing
Accelrys provides Manufacturing Intelligence solutions that drive a lean supply chain and accelerate revenue with a proven approach to data access, aggregation, analytics and reporting. Accelrys Discoverant leverages existing IT investments to enable on-demand and scheduled access to all manufacturing, quality and process development data for process performance
analysis and visibility. Leading manufacturers increase profits by using Discoverant to improve process predictability, quality and yield and accelerate technology transfer.
Download this technical brief for a deep dive into Discoverant’s comprehensive capabilities for investigational analysis and process understanding in bioprocess development and manufacturing including monitoring and analysis of fermentation data, chromatography data analysis and other powerful on-demand data access and analysis capabilities.
Accelrys Discoverant integrates powerful investigational analytics that include statistics, graphics, and visual analytics together with a unique data connectivity technology to provide real-time, on-demand data access, conditioning and analysis of manufacturing and process development data.
Download this technical brief for highlights of the Discoverant Nexus Module for data aggregation and contextualization, the Discoverant InVision Modules for data analysis and the Discoverant Paper Record Input Manager (PRIMR) Module.
Accelrys Enterprise Platform & Pipeline Pilot
Accelrys Enterprise Platform for IBM System x iDataPlex with GPFS
This document provides a guideline for Accelrys Enterprise Platform (AEP) on IBM iDataPlex Linux clusters using IBM General Parallel File System (GPFS). Also, it provides an overview on the latest in Enterprise Platform and features the performance of AEP on iDataPlex systems with GPFS.
One of the major challenges facing the scientific and clinical research communities is the inability to access, aggregate, and mine scientific data across an enterprise organization. Data remains locked in silos, causing productivity and decision making to suffer, and ultimately impeding an organization's research efficiency. By successfully harnessing disparate data sources and software applications, organizations position themselves to apply their data in an intelligent, focused manner, thereby improving productivity, decision making and research efficiency. However, such efficiencies have eluded many scientific and clinical research organizations because traditional business intelligence (BI) technologies cannot handle advanced scientific data processing and analysis. This lack of a readily available BI solution has forced organizations to make do with vendor-specific solutions, drain in-house development resources by building customized solutions, or struggle with sharing data among incompatible point products. Accelrys' proven history of delivering innovative modeling, simulation and informatics software for life and materials sciences, as well as its open and standards-based scientific operating platform, positions it to deliver scientifically-relevant BI solutions that meet the needs of the scientific and clinical research communities.
With increasing pressure to bring new products to market and reduce IT costs, organizations are asking, “How much value do we receive from our software 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 research team in developing value equations, collecting data from customers, and benchmarking the value of Accelrys’ Pipeline Pilot platform. This whitepaper outlines the methodology, process, sources of value, and the results which clearly show that Pipeline Pilot customers see significant time and cost savings across industries.
Download the whitepaper to view the results and ensure you are getting the most out of your investment.
Return on Investment of Streamlined Data Mining and Analysis
This white paper explores how Pipeline Pilot, a solution that streamlines the integration and analysis of vast quantities of diverse data, can provide organizations with a significant ROI (in some cases over 700%). With Pipeline Pilot, organizations can improve the overall research process, potentially speeding up time to market. On top of that, Pipeline Pilot can lead to significant cost savings, which are realized through reduced expenses, licensing fees, and infrastructure costs. Download this paper to view detailed financial benefits that have been seen by four organizations that used Pipeline Pilot to create customized solutions for their research needs.
With the average cost of a new small molecule drug hovering at $800 million today vs. $200 million in 1987 , pharmaceutical and biotech companies are in urgent need of innovations to improve profitability. The problem may be attributed to the deteriorating rate of compounds in Phase I of clinical development reaching the market, which CMR International estimated to be at 23% in 1994-1996, 15% in 1995-1997, and 11% in 1996-1998 . To improve this rate, pharmaceutical and biotech companies turn to informatics (bioinformatics and cheminformatics included), that help scientists run more virtual experiments, modeling and simulation than ever before. This, in turn, drives the need for scalable and efficient data management and analysis solutions.
This white paper discusses an implementation of a data pipelining analysis platform that caters to a large number of users in an environment with multiple, heterogeneous databases as described above. The work is a collaboration between SciTegic and IBM, and includes benchmarking results of this solution and its configuration. PDF format.
With the advent of high-throughput screening, life science companies have the capacity to routinely screen hundreds of thousands to millions of compounds in the laboratory in a very short time. An immediate problem is the difficulty in ensuring that a large, high quality collection of compounds is available to match the screening capacity - many smaller and newer companies do not posses a significant in-house compound collection. Even at the largest pharmaceutical companies, historical compound collections typically do not contain a sufficient number of compounds to keep the screens busy. In addition, these historical collections may suffer from issues of compound quality and diversity. Two approaches have been taken to fill the screening pipeline - the acquisition of compounds from external collections, and the use of high throughput combinatorial chemistry to produce large numbers of compounds. This application note focuses on using Pipeline Pilot in the compound acquisition process. PDF format.
Enumerating Combinatorial Libraries using Pipeline Pilot
Combinatorial chemistry techniques are a routine part of lead generation and lead optimization. With the capability to synthesize large numbers of compounds and the use of automated synthesis, computational methods are an integral part of the combinatorial chemistry process. A number of computational tasks are important in the preparation of combinatorial libraries, including:
Identification and selection of reagents
Computational definition of virtual libraries for design, or real libraries for synthesis, and the enumeration of the compounds within those libraries
Subset selection from a virtual library: diverse selections for lead generation or focused selection for lead optimization
This application note focuses on the first two tasks. PDF format.
IDC Manufacturing Insights White Paper: R&D Informatics in Pharma
With the rapid evolution in drug development, compliance requirements, competition and outsourcing strategies, pharmaceutical companies face new and increasingly complex challenges in the R&D life cycle from lab to manufacture.
Learn how pharmas can accelerate the innovation process and begin closing the gap between innovation and commercialization by connecting scientists, information and software across the continuum from early research to manufacturing execution. Download this IDC Manufacturing Insights white paper, sponsored by Accelrys and authored by Joe Barkai, research vice president for IDC Manufacturing Insights Product Lifecycle Strategies.
IDC Manufacturing Insights Whitepaper: R&D Informatics in Biopharma Companies
The biopharmaceutical development ecosystem is an intricate web of close relationships and collaborations among major pharmaceutical companies, smaller biotech companies, academia and contract research organizations.
Learn how biopharma companies, even with limited IT budgets and capabilities, can accelerate the innovation process and begin closing the gap between innovation and commercialization by speeding the development of novel biologic entities and collaborating effectively with pharmaceutical companies and other partners. Download this IDC Manufacturing Insights whitepaper, sponsored by Accelrys and authored by Joe Barkai, research vice president for IDC Manufacturing Insights Product Lifecycle Strategies.
Today, Pharma companies spend almost one third of their global research budgets with external partners, and a 20% year-on-year growth is expected, resulting in 30-50% of all research activity to be undertaken by external partners. As part of the life science industry's transformation, there has been a fundamental change in the way companies operate.
Download this Technology Spotlight to hear where Alan Louie from IDC Health Insights, discusses the emerging industry trend of Externalized Collaboration and how this new model can be supported by a web-based collaboration network, which eliminates the need for dedicated physical infrastructure while providing a full featured, regulatory compliant collaborative workspace for researchers to share from anywhere in the world.
Accelrys Biological Registration: Mastering Biological R&D at Its Roots
This IDC Health Insights Perspective highlights a new product solution that promises to more effectively register, track, and manage promising biologics, resulting in more efficient biological product development and more systematic intellectual property management and protection. Accelrys' new Biological Registration system is the next step in the extension of its Accord chemical registration capabilities to biological entity registration. With the expanded product portfolio from its proposed merger with Symyx Technologies, Accelrys becomes the dominant industry leader for chemical and biological registration solutions, taking chemical and biologic entity management to a new level.
This paper describes the use of a centralized data management system that allows manufacturing organizations to effectively manage regulatory compliance. The Accelrys Environmental Chemistry and Toxicology (ECT) Solution is a customizable “scientifically-aware” platform to streamline monitoring, analysis, and reporting of chemical by-products for the purposes of regulatory compliance. This scientifically-aware solution inherently allows for QSAR analysis, chemical similarity searching, and other read-across techniques to maximize the value of all data. The scientific platform can easily be configured to automatically predict biodegradation products, physical properties, ADME and Toxicology properties, and many other descriptors. The solution can also be configured to automatically compare any of these properties to codified business rules, specific for each facility. These, and many other capabilities can automatically be presented on interactive dashboards or on REACH, MSDS or other formal documentation.
Measuring the Return on Modeling and Simulation
Tools in Pharmaceutical Development
Based on in-depth interviews with research scientists in pharmaceutical development, market research firm IDC concludes that there is a significant return on investment (ROI) to be realized from the use of modeling and simulation software tools. The research was based on conversations with researchers at major pharmaceutical companies and academia, and suggests a cumulative ROI of the order of $3–$10 for every $1 invested in these tools.
Materials Science & Engineering.
IDC Manufacturing Insights Whitepaper: R&D Informatics in New Materials
Existing and new investments in IT are centered almost exclusively on improving efficiencies in the traditional engineering and supply chain disciplines. These tools, however, are not optimized to handle disciplines employed in the development and industrialization of new materials. Standard enterprise PLM and PDM tools can only store scientific data as semantics-poor documents, large binary objects, or simple text-based design attributes.
Download this IDC Manufacturing Insights whitepaper, sponsored by Accelrys and discover how new materials companies can accelerate the innovation process and eliminate unnecessary prototypes and experiments while optimizing those that are truly necessary.
IDC Manufacturing Insights Whitepaper: R&D Informatics in Formulation Companies
In their quest for faster innovation, formulation companies cannot afford to research new entities and formulas the old-fashioned way. Today, innovation centers on recipes, formulas, and processes more than on molecules and syntheses, and with the emergence of biologics and stringent environmental constraints, the challenges are even greater.
Download this IDC Manufacturing Insights whitepaper, sponsored by Accelrys and learn how formulation companies in the brand-oriented sector can accelerate the innovation process and start to close the gap between innovation and commercialization.
IDC Manufacturing Insights White Paper: R&D Informatics in Discrete Manufacturing
Discrete manufacturing companies in diverse segments such as automotive, aerospace and defense, electronics, and semiconductors are challenged by rapid geographic expansion in emerging markets and competition from low-cost entrants, often from the very same regions that promise the biggest market growth opportunity. While the promise of emerging markets is very alluring, discrete manufacturing companies must devote as much attention to protect and grow market share in their traditional markets, which are being threatened by these low-cost upstarts.
Learn how to leverage science-led innovation and explore new strategic opportunities by overcoming the challenges of expanded global operations and the emergence of new information technologies. Download this IDC Manufacturing Insights whitepaper, sponsored by Accelrys and authored by Joe Barkai, research vice president for IDC Manufacturing Insights Product Lifecycle Strategies.
IDC Manufacturing Insights White Paper:
R&D Informatics in Production and Process Chemistry
In their quest for faster and differentiating innovation, Production and Process Chemistry (PPC) companies cannot afford to research new entities and formulas the old-fashioned way. Companies realize that creating new formulas and processes in an ad hoc siloed and unstructured fashion as they did in the past is impractical and wasteful.
Learn how PPC companies in the brand-oriented sector can accelerate the innovation process and start to close the gap between innovation and commercialization. Download this IDC Manufacturing Insights whitepaper, sponsored by Accelrys and authored by Joe Barkai, research vice president for IDC Manufacturing Insights Product Lifecycle Strategies.
How Effective Is Your Innovation Lifecycle?
A Maturity Model and Roadmap for Consistent, Repeatable Scientific Innovation
According to IDC Manufacturing Insights, across industries, currently only a quarter of R&D projects reach the market. Of those, two thirds fail to meet customer expectations. And almost half the resources R&D companies allocate to product commercialization are wasted because of manual and disconnected processes that create bottlenecks, slow time-to-market and damage profitability.
Part of the problem is that most organizations have no clear roadmap for ensuring that their R&D investments consistently lead to successful new products. Scientific innovation is often viewed as something ephemeral, like lightning, rather than as an end-to-end process that can be streamlined, optimized and continuously improved upon. But in a world where being first-to-market is increasingly one of the most important drivers of competitive advantage, businesses simply don’t have the luxury of waiting for innovation to “strike.”
Discover the secrets of consistently innovative companies, and how to assess the alignment of people, processes, tools, and data in your organization to achieve a sustainable innovation process.
In the realm of materials research, thinking “small” may just be the ticket to the next big breakthrough. As advances in nanotechnology and micro-engineering are enabling scientists to design materials at the atomic and molecular scale, the door is open to potentially disruptive discoveries in industries ranging from pharmaceuticals and consumer packaged goods, to electronics and aerospace. But while nanoscience offers great promise, it is not without its challenges. This paper discusses how Accelrys’ solutions for materials science can help organizations working on next generation nanomaterials reduce the waste and costs associated with errors, dead ends and expensive lab experimentation, while at the same time increase the breadth, depth, efficiency and quality of their efforts.
IDC Manufacturing Insights Whitepaper:
Designing Environmental Sustainability into Product Research and Development
Environmental sustainability is drawing attention from all directions — from new environmental regulations and enforced compliance to suppliers looking to create competitive differentiation though greener products and services. Simultaneously, manufacturers have become increasingly dependent upon their ability to efficiently innovate and successfully bring new products to market, as well as their ability to serve new markets defined by region or by customer application to generate revenue growth. This whitepaper examines how changes to the research and development process can have significant benefits to a manufacturer's environmental footprint and ability to make science a component of critical business decisions going forward. Done correctly, sustainability at the research and development phase can not only drive innovation in products and processes but also bring cost savings and more efficient and consistent compliance. Learn more in this comprehensive whitepaper by IDC Manufacturing Insights.
Materials Studio® Benchmark Guide For Intel® Xeon® Based Clusters
Materials scientists and modelers often require high performance computing to manage the advanced computation and data volumes necessary to generate results in a timely and efficient manner. The performance tests presented in this white paper demonstrate that the latest advancements from Intel and Accelrys are transforming materials modeling and delivering shorter time-to-solution. Collaboration between Accelrys and Intel delivers results that combine hardware and software excellence.
This document provides a guideline for performance measurement of Materials Studio CASTEP, DMol3, and ONETEP, running on a range of Intel-based servers. The performance for processors from the Intel Xeon Processor sequence, including the latest Nehalem processors, is compared to using several interconnects. Benchmark data for typical materials calculations, using MS CASTEP and MS DMol3 in Materials Studio 5.0 and MS ONETEP in Materials Studio 4.4, are provided.
Modeling and Simulation:
The Return on Investment in Materials Science – an IDC Chemicals Industry
Market research firm IDC’s recent study concluded that for each dollar invested in modeling and simulation software and its support infrastructure, $3 to $9 was returned to the company in incremental revenue and costs savings.
Toward Nanomaterials by Design:
A Rational Approach for Reaping Benefits in the Short and Long Term
Scott Mize, President of the Foresight Institute (www.foresight.org), describes a rational approach to Nanomaterials by Design and explains why nanotechnology companies must adopt it to most effectively and efficiently discover, develop, and manufacture new products. At the core of Rational Nanomaterials Design are modeling, simulation, and informatics software tools, which have been demonstrated to reduce development costs, speed time to market, and enable designers to develop better materials with a greater focus on end-user application requirements.