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The impact of data integrity on decision making in early lead discovery

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Abstract

Data driven decision making is a key element of today’s pharmaceutical research, including early drug discovery. It comprises questions like which target to pursue, which chemical series to pursue, which compound to make next, or which compound to select for advanced profiling and promotion to pre-clinical development. In the following paper we will exemplify how data integrity, i.e. the context data is generated in and auxiliary information that is provided for individual result records, can influence decision making in early lead discovery programs. In addition we will describe some approaches which we pursue at Boehringer Ingelheim to reduce the risk for getting misguided.

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Acknowledgments

We would like to thank our colleagues Ralf Heilker, Helmut Romig, Thilo Fligge, and Frank Dullweber for stimulating discussions.

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Authors and Affiliations

  1. Department of Lead Identification and Optimization Support, Boehringer Ingelheim Pharma GmbH & Co. KG, Birkendorfer Str. 65, 88397, Biberach an der Riss, Germany

    Bernd Beck, Daniel Seeliger & Jan M. Kriegl

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  1. Bernd Beck
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  2. Daniel Seeliger
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  3. Jan M. Kriegl
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Correspondence to Bernd Beck.

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Beck, B., Seeliger, D. & Kriegl, J.M. The impact of data integrity on decision making in early lead discovery. J Comput Aided Mol Des 29, 911–921 (2015). https://doi.org/10.1007/s10822-015-9871-2

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  • DOI: https://doi.org/10.1007/s10822-015-9871-2

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