The MultiCASE Program II. Baseline Activity Identification Algorithm (BAIA)†

Gilles Klopman
Chemistry Department, Case Western Reserve University, Cleveland, Ohio 44106
J. Chem. Inf. Comput. Sci., 1998, 38 (1), pp 78–81
DOI: 10.1021/ci9700790
Publication Date (Web): January 19, 1998
Copyright © 1998 American Chemical Society
†

 CASE and MultiCASE (MCASE) are trademarks of MULTICASE Inc., PO 22517, Beachwood, OH 44122.

Abstract

A new algorithm is presented that allows one to uncover underlying relations between the biological activity of a diverse set of molecules and a global parameter such as the partition coefficient, solubility, and/or the redox properties.

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History

  • Published In Issue January 19, 1998
  • Received September 5, 1997

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