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The application of molecular similarity calculations

✍ Scribed by Catherine Burt; W. Graham Richards; Philip Huxley

Publisher
John Wiley and Sons
Year
1990
Tongue
English
Weight
678 KB
Volume
11
Category
Article
ISSN
0192-8651

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✦ Synopsis

Abstract

A prescription for applying the method of molecular similarity calculations based on electrostatic potentials and fields is developed by consideration of a typical structure‐activity series. Firm conclusions are drawn about the nature of the grid of points surrounding the molecules and about the choice of geometry, but options for point charges are less clearcut.

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