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Pharmaceutical

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Pharmaceutical Industry

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.

See the benefits of Accelrys Software in Target Identification

With Accelrys software, you can:

  • 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 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 Accelrys Electronic Lab Notebook, 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.

See the benefits of Accelrys Software in Lead Discovery

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
  • 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.

See the benefits of Accelrys Software in Lead Optimization

With Accelrys software, you can:

  • 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

Delivery and Formulation

Turn your biologically active molecules into viable products. 

See the benefits of Accelrys Software in Delivery and Formulation

With Accelrys software, you can:

  • 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 Accelrys Electronic Lab Notebook, 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.

See the benefits of Accelrys Software in Productivity and Process Improvement

With Accelrys software, you can:

  • 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.

See the benefits of Accelrys Software in Decision Support

With Accelrys’ decision-support system, Accelrys Isentris, you can::

  • Explore, analyze, and report integrated corporate and project data formatted to support decision-making
  • Integrate information and applications into scientific workflows to improve R&D productivity
  • Develop and extend applications
  • Integrate specialized tools and gain access to internal and external data sources
  • Support workflow processes and strengthen decision making
  • Get unique answers to your chemical sourcing, synthetic methodology, and bioactivity questions by accessing a comprehensive collection of databases

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