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Media type:
E-Article
Title:
A Linear Molecular Similarity Index
Contributor:
Reynolds, Christopher A.;
Burt, Catherine;
Graham Richards, W.
Published:
Wiley, 1992
Published in:
Quantitative Structure-Activity Relationships, 11 (1992) 1, Seite 34-35
Language:
English
DOI:
10.1002/qsar.19920110106
ISSN:
0931-8771;
1521-3838
Origination:
Footnote:
Description:
AbstractMolecular 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.