MEDI 225 |
| Access to metabolism and toxicology data is critical to effective decision making in early drug discovery projects, but simply providing unstructured metabolism- and safety-related information on targets and chemical series to project teams trying to make decisions is not adequate due to the varied nature and quality of metabolism and toxicology data. This presentation includes project examples of how relevant data can be structured, mined and in some cases modelled to enhance decision-making. Brief descriptions of the varying data types and their usage in project decision making will be presented along with some strategies for hypothesis generation around adverse events using a combined approach of molecular modelling/virtual screening and text mining. Together, these tools, built to be appropriate to the various data types, represent a basic toolkit for the toxicologist and drug metabolism scientist needing to make meaningful contributions to the myriad decisions made in early drug discovery projects. |
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Drug Safety
9:00 AM-12:00 PM, Tuesday, August 21, 2007 BCEC -- 210A, Oral
Division of Medicinal Chemistry |