Chemical Intelligence Platform Aids Drug Discovery

ChIP is based on the merger of knowledge-based informatics applications that focus on the empirical structure/activity relationships (SAR) of compounds with specific drug targets and predictive in silico assessment algorithms. The platform is designed to mimic the chemical intuition that pharmaceutical chemists rely on in discovering and designing drugs, and on underlying algorithms based on the mistakes and successes of the drug discovery process. The platform will consist of a fully inclusive knowledge base of target specific and gene family-based SAR, chemical transformations, and a suite of software tools. These include FlexiChem, VisiChem, ePotency, selectivity, and eADMET.

Libraria, Inc. (San Jose, CA, USA), has been awarded a US$2million grant from the US National Institute of Standards and Technology to speed the evolution of ChIP. "Our ultimate goal is to develop tools that scientists will routinely collaborate with to decrease the time and increase the success rates associated with identifying safer, more efficacious compounds,” said Dr. Steven Muskal, vice president of informatics at Libraria.




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