Which Compound to Select in Lead Optimization? Prospectively Validated Proteochemometric Models Guide Preclinical Development

• Gerard J. P. van Westen,

  Affiliation Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands

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• Jörg K. Wegner,

  Affiliation Tibotec BVBA, Beerse, Belgium

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• Peggy Geluykens,

  Affiliation Tibotec BVBA, Beerse, Belgium

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• Leen Kwanten,

  Affiliation Tibotec BVBA, Beerse, Belgium

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• Inge Vereycken,

  Affiliation Tibotec BVBA, Beerse, Belgium

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• Anik Peeters,

  Affiliation Tibotec BVBA, Beerse, Belgium

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• Adriaan P. IJzerman,

  Affiliation Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands

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• Herman W. T. van Vlijmen,

  Affiliations Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands, Tibotec BVBA, Beerse, Belgium

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• Andreas Bender

  * E-mail: ab454@cam.ac.uk

  Affiliations Division of Medicinal Chemistry, Leiden/Amsterdam Center for Drug Research, Leiden, The Netherlands, Unilever Centre for Molecular Science Informatics, University of Cambridge, Cambridge, United Kingdom

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