Improving (Q)SAR predictions by examining bias in the selection of compounds for experimental testing

Author:

Pogodin P.V.1,Lagunin A.A.12ORCID,Filimonov D.A.1ORCID,Nicklaus M.C.3,Poroikov V.V.1ORCID

Affiliation:

1. Department of Bioinformatics, Institute of Biomedical Chemistry, Moscow, Russia

2. Department of Bioinformatics, Medical-Biological Department, Pirogov Russian National Research Medical University, Moscow, Russia

3. Computer-Aided Drug Design Group, Chemical Biology Laboratory, Center for Cancer Research, National Cancer Institute, NIH, NCI-Frederick, Frederick, MD, USA

Publisher

Informa UK Limited

Subject

Drug Discovery,Molecular Medicine,General Medicine,Bioengineering

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