✦ LIBER ✦

Cumulative and discrete similarity analysis of electrostatic potentials and fields

✍ Scribed by J.D. Petke

Publisher: John Wiley and Sons
Year: 1993
Tongue: English
Weight: 512 KB
Volume: 14
Category: Article
ISSN: 0192-8651
DOI: 10.1002/jcc.540140808

No coin nor oath required. For personal study only.

✦ Synopsis

A new index suitable for computing molecular similarity based upon the similarity of molecular properties such as electrostatic potentials or electrostatic fields is presented in two forms. For one form of the present index, general conditions are established for which a linear measure of similarity is obtained. An illustrative example is provided in which the electrostatic field and electrostatic potential of guanine obtained from different wave functions are compared.

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