A Linear Molecular Similarity Index

Christopher A. Reynolds, Catherine Burt, W. Graham Richards

Research output: Contribution to journalArticle

24 Citations (Scopus)

Abstract

Molecular similarity is a tool for rationalising the biological activities of potential drug molecules. The most useful form of molecular similarity calculations are usually based upon the molecular electrostatic potential and generally use formulae due to Carbo or Hodgkin but these formulae do not give a similarity index which varies linearly with molecular electrostatic potential. Consequently, a new linear index has been proposed and the potential advantages of this index are discussed.

Original languageEnglish
Pages (from-to)34-35
Number of pages2
JournalQuantitative Structure‐Activity Relationships
Volume11
Issue number1
DOIs
Publication statusPublished - 1992
Externally publishedYes

Keywords

  • drug design
  • electrostatic potential
  • Molecular similarity

ASJC Scopus subject areas

  • Pharmacology

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