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Poster, 2008: Beyond Biomolecular Screening: A Multi-Parametric Procedure for Efficient Hit and Lead IdentificationSBS 2008
Screening more compounds in more assays has led to more data, but has not solved the problem of identifying better candidates with which to shorten drug discovery cycles.
We will discuss how more value can be gained from the increased volume of data, by managing the data in a consistent way, placing it in context with other information, finally combining and translating it into efficient hit and lead prioritization.
We suggest definition of corporate-wide business rules for ensuring data consistency, covering data acquisition and processing, application of quality metrics, and aggregation of plate to compound measurements. Tools to apply these standards in an unbiased yet still interactive style have to be provided.
Furthermore, we present a case study in which public databases are used to create hit lists rich in information, such as biological and molecular properties, and known bioactivities. Different ways of ranking compound lists on such multi-parametric data are shown, and a procedure to identify the most promising candidates for lead optimization is demonstrated.
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