MOLECULAR MODELLING

Predictive sciences solutions

28 October 2013

Accelrys

Accelrys has announced the availability of an extensive set of advanced predictive sciences applications and services. These integrated capabilities enable drug discovery teams to investigate and evaluate hypotheses about the chemical or biological behaviour of molecules of therapeutic interest in silico prior to costly experimentation.

Accelrys predictive sciences utilises the open, scientifically aware Accelrys Enterprise Platform to deliver an advanced scientific decision support environment that reduces time and expense, improves quality, enhances collaboration and accelerates innovation in bringing new drugs to market.

Taking advantage of the integrated Accelrys Enterprise Platform, medicinal, synthetic and computational chemists, molecular biologists and computational structural biologists can utilise the following Accelrys predictive sciences solutions for improved end-to-end information management and decision support across the enterprise and networked external partners:

  • Accelrys Discovery Studio – Accelerate life sciences exploration with a comprehensive portfolio of validated modeling and simulation solutions for both small molecules and macromolecules-based drug design;
  • Accelrys QSAR Workbench – Automate the development, validation and deployment of predictive quantitative structure-activity relationship models to expedite the lead optimisation phase;
  • Accelrys Pipeline Pilot – Rapidly create, test and publish scientific services that automate data analysis and enable scientists to rapidly explore, visualise and report results; and
  • Accelrys Component Collections – Build, deploy and analyse complex scientific data types using the Chemistry, Data Modeling, Sequence Analysis, Next Generation Sequencing and ADMET Collections to improve scientific processes and accelerate decisions.

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