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October 12, 2009

Simulations Plus Launches New Version Of ClassPharmer Software

To help chemists perform scaffold-hopping task in silico for data mining and drug design

By CBR Staff Writer

Simulations Plus has launched the latest version of its ClassPharmer software, ClassPharmer 4.7. The sofware is used by pharmaceutical research scientists for analysis of chemical libraries and design of new molecular structures.

David Miller, team leader of discovery informatics at Simulations Plus, said: “This new version of ClassPharmer further extends its data mining and molecule design capabilities with a series of powerful new enhancements. One particularly exciting new feature is the ability to design molecules that replace a problematic portion of an existing candidate molecule with another structure (scaffold) expected to have improved properties. This technique, commonly called scaffold hopping, is extremely important in the drug industry because it allows chemists to salvage an otherwise promising drug candidate.

ClassPharmer’s new design feature helps chemists to perform this scaffold-hopping task in silico, allowing them to screen hundreds of thousands of replacement scaffolds computationally without the need to commit valuable resources to synthesize and test them all.

Walt Woltosz, chairman and CEO of Simulations Plus, said: “Coupled with our Admet Predictor software, ClassPharmer provides unmatched capabilities for the rapid design and screening of new molecular structures.

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Simulations Plus is a developer of drug discovery and development software, which is licensed to and used in the conduct of drug research by pharmaceutical, biotechnology, and drug delivery companies worldwide.

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