Pharmaceutical companies today face a challenge that may at times seem impossible— drive innovation while also reducing costs. With the realities of looming project deadlines, cumbersome data management and analysis processes, and limited access to existing knowledge and real-time reporting, these companies need more than a solution that withstands the rigor of an ambitious R&D process; they need one that improves it.
The Accelrys Scientific Informatics Platform is the answer. It delivers trusted solutions for life and materials modeling and simulation, informatics, decision support, and business intelligence on a secure and scalable infrastructure that enables data, application and instrument integration, as well as process automation. As a result, pharmaceutical companies can fundamentally improve the R&D cycle by supporting tightly-integrated, closed-loop processes, from target identification to drug formulation.
Target Identification
Examine the structure and function of DNA, proteins, and other biological compounds, setting your discovery efforts on a promising path.
Streamline your ‘omics data analysis workflows by using Pipeline Pilot to build and automate complex workflows spanning sequence analysis, mass spectrometry for proteomics, gene expression and SNP detection, next generation sequencing, and image analyses
Overcome the challenges of registering biological entities such as antibodies, vaccines, and small molecules with a user-friendly, browser-based Biologicals Registration System
Accurately represent, register, and search structures, reactions, and biological sequences and produce of publication-quality graphics with Accelrys Draw
Explore your targets using the homology modeling, antibody modeling, and protein-protein docking tools that are integrated within the Discovery Studio life science modeling and simulation environment
Lean more from your assay data, faster, by using Pipeline Pilot or Accord Cheminformatics to automate assay runs and screening campaigns, as well as integrate visualization, reporting, and dashboards
Extract knowledge from text-based journal articles, full text articles, patents, and internal documents, with chemical document and patent analytic tools in the Pipeline Pilot Text Analytics Component Collection
Improve personal productivity, collaboration, and collective intelligence with an Symyx Notebook by Accelrys, an enterprise ELN that supports a wide range of biology domains including in vivo and in vitro experimentation for biologics, target identification and validation, assay development, screening, drug metabolism and pharmacokinetics (DMPK), toxicology, and bio-analytical experimentation
Get unique answers to your chemical sourcing, synthetic methodology, and bioactivity questions with a comprehensive collection of databases with flexible access options
Lead Discovery
Rapidly identify and screen leads, explore more hypotheses, and streamline your processes along the way.
Virtual lead discovery is supported by Accelrys software that lets you:
Quickly identify promising leads with sophisticated structure-based, ligand-based, and pharmacophore-based modeling tools that are integrated within the Discovery Studio life science modeling and simulation environment
Optimize candidates with the library design, QSAR, SAR, pharmacophore, and fragment-based design tools integrated within Discovery Studio
Spot potential problems early with the help of comprehensive toxicity databases and the ADME, toxicology, and activity profiling tools in Discovery Studio
Leverage combinatorial chemistry to design a robust virtual library using the molecular property calculators, filters, and manipulators in the Pipeline Pilot Chemistry Component Collection
Experimental lead discovery is supported by Accelrys software that lets you:
Uncover the true value of your high content analysis data by using Pipeline Pilot to integrate and analyze HCS image data with numerical, chemical, biological and textual data from across your workflow and organization
Create reusable workflows for compound acquisition and management by using Pipeline Pilot to integrate data from disparate databases, capture your best practices and business rules using chemically-intelligent components, and automate procedures such as duplicate checking, filtering, and profiling
Rapidly clean your library using Pipeline Pilot tools for 2D coordinate generation, substructure orientation, property filtering, clustering, similarity searching, and more
Securely register and manage your compounds using an Accord Cheminformatics-based system that provides easy-to-use functionality for registration, uniqueness checking, and corporate ID assignment, as well as optional services such as fine-tuned searching, 2D structure checking, data normalization, enhanced visualization, property calculation, reporting, and much more
Increase R&D productivity with unparalleled, high-throughput and experiment-automation support, alongside comprehensive data visualization and analysis capabilities with Accelrys Lab Execution and Analysis Software
Better manage the chemical and biological aspects of the discovery process with Accelrys’ integrated collection of Lab Operations Software
Bring focus to your collaborative R&D environment with a single, enterprise ELN that helps scientists quickly and easily record, find, report, and reuse experiments, as well as share information with colleagues
Lead Optimization
Quickly uncover leads with the greatest potential for being developed into effective, safe therapeutic agents.
Create reusable workflows for compound acquisition and management using Pipeline Pilot to integrate data from disparate database, capture your best practices and business rules using chemically-intelligent components, and automate procedures such as duplicate checking, filtering, and profiling
Prioritize compounds, reduce library size, and uncover leads that are most likely to be active in vivo with the structure-based design tools in Discovery Studio, which enable flexible docking, de novo design, physics-based scoring, and much more
Rapidly identify promising new molecular entities with the pharmacophore modeling tools in Discovery Studio, which enable scaffold hopping, ligand-, fragment- and structure-based model generation, conformer analysis, and much more
Perform fast and easy medicinal, chemistry-driven optimization by turning to the web-based
Accelrys MedChem Workbench, which lets you manage lists of compounds, gather information about them, and iteratively apply tasks to analyze and refine those lists
Select compounds most likely to become drugs with QSAR and library design tools in Discovery Studio, which provide QSAR, fingerprint, and quantum-mechanic based descriptors, as well as Advanced Data Modeling and optimization tools such as Bayesian models, GFA, neural networks, and Pareto optimization
Securely register and manage your compounds using an Accord Cheminformatics-based system that provides easy-to-use functionality for registration, uniqueness checking, and corporate ID assignment, as well as optional services such as fine-tuned searching, 2D structure checking, data normalization, enhanced visualization, property calculation, reporting, and much more
Delivery and Formulation
Turn your biologically active molecules into viable products.
Design better drug structures through form identification and quantification, amorphous content characterization, and crystal structure determination with Materials Studio
Better control drug crystallite morphology by closely examining factors that may impact performance, such as particle size, drug bioavailability, drug dissolution, and excipient interactions with Materials Studio
Avoid unfavorable polymorphs by predicting low energy polymorphs through virtual polymorph screening and deriving efficient crystallization strategies for producing polymorphs with desired properties with Materials Studio
Improve drug stability and shelf-life by studying the interaction of crystallites with excipients, predicting shelf life, and exploring component miscibility with Materials Studio
Design better delivery systems and drug formulations by predicting drug lifetime and stability through the prediction of physiochemical properties and the study of micelle formation and aggregation with Materials Studio
Accelerate the designing, documenting, storing, and secure sharing of formulations with Symyx Notebook by Accelrys, which supports templates for standardized protocols, powerful searching, experiment cloning, and IP protection (21CFR11, GLP and GMP with document versioning, form-level audit trails, and signatures)
Productivity and Process Improvement
Streamline your R&D processes, save time, and better leverage your existing knowledge and expertise.
Streamline cumbersome processes and attain better, faster access to existing intelligence by creating and automating workflows for complex data management, analysis and reporting with Accelrys’ scientific informatics platform, Pipeline Pilot
Bring focus to your collaborative R&D environment with a single, enterprise ELN that helps scientists quickly and easily record, find, report, and reuse experiments, as well as share information with colleagues; with the notebook process chemists can document and share experiments more completely and efficiently
Increase R&D productivity with unparalleled, high-throughput and experiment-automation support, alongside comprehensive data visualization and analysis capabilities, with Accelrys Lab Execution and Analysis Software
Support efficient, streamlined laboratory operations and collaboration with Accelrys’ Lab Operations suite of products that define, track, procure, and audit materials, IP and other critical objects and workflows
Decision Support
Ask the questions you want and get the answers you need.