Abstract Details

BioProfile - Extract Knowledge About Compound Cross Reactivities from Corporate Databases

Dr. Bernd Beck1
1Boehringer Ingelheim Pharma GmbH & Co.KG
In the last two decades, many new technologies and approaches have been implemented in research in the pharmaceutical industry. These include high-throughput screening and combinatorial chemistry, which result in a rapidly growing number of biological assay and structural data in the corporate databases. Efficient use of the data from this growing data mountain is a key success factor. Here I describe an approach, initiated several years ago, to obtain as much information as possible from historical assay data stored in the corporate database. Both primary-screen and dose-response data are used. It will be shown how important a careful preprocessing of the data is for enhancing its information content. The preconditioned data is used to analyze the relation between assays, cross reactivities of compounds in a given hit set, or for frequent hitter analysis. The preprocessing workflow and some sample applications are described.

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