BioProfile--extract knowledge from corporate databases to assess cross-reactivities of compounds.
In the last 10-15 years, many new technologies and approaches have been implemented in research in the pharmaceutical industry; these include high-throughput screening or combinatorial chemistry, which result in a rapidly growing amount 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; 'provide as much knowledge as possible as early as possible and therefore enable research teams to make the best possible decision whenever this decision can be supported by stored data'. Here, an approach which started several years ago to obtain as much information as possible out of historical assay data stored in the corporate database is described. It will be shown how important a careful preprocessing of the stored data is to enhance its information. Different possibilities for accessing and to analyzing the preconditioned data are in place. Some of will be described in the examples.
Boehringer Ingelheim Pharma GmbH & Co. KG, Department of Lead Identification and Optimization Support, 88397 Biberach, Germany. bernd.beck@boehringer-ingelheim.com
Bernd
B
Beck
D001681:Biological Assay; D062313:Databases, Pharmaceutical; D004305:Dose-Response Relationship, Drug; D055808:Drug Discovery; D015394:Molecular Structure; D009930:Organic Chemicals / Q000737:chemistry / Q000494:pharmacology*; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D013329:Structure-Activity Relationship
D009930:Organic Chemicals; D004364:Pharmaceutical Preparations