Specmat: Spectra as Molecular Descriptors for the Prediction of Biological Activity

  • R. Bursi
  • V. J. van Geerestein

Abstract

A proper choice of molecular descriptors or molecular fingerprints is decisive for successful application of computational methods in QSAR and Lead Discovery.1–3

Keywords

Estrogen 

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Copyright information

© Springer Science+Business Media New York 2000

Authors and Affiliations

  • R. Bursi
    • 1
  • V. J. van Geerestein
    • 1
  1. 1.Molecular Design & InformaticsNV OrganonOssThe Netherlands

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