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Integrating computational lead optimization diagnostics with analog design and candidate selection

Dimitar Yonchev1, Jürgen Bajorath1

  • 1Department of Life Science Informatics, B-IT, LIMES Program Unit Chemical Biology & Medicinal Chemistry, Rheinische Friedrich-Wilhelms-Universität, Endenicher Allee 19c, D-53113 Bonn, Germany.

Future Science OA
|March 7, 2020
PubMed
Abstract

Keywords:
Free-Wilson analysisanalog designcandidate prioritizationcomputational diagnosticsdecision supportlead optimizationmedicinal chemistrypotency prediction

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