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QSAR of chemical polarizability and nerve toxicity. 2.

作者信息

Hansch Corwin, Kurup Alka

机构信息

Department of Chemistry, Pomona College, Claremont, California 91711, USA.

出版信息

J Chem Inf Comput Sci. 2003 Sep-Oct;43(5):1647-51. doi: 10.1021/ci030289e.

Abstract

Polarizability is a property of molecules that has long been of interest to scientists from a variety of viewpoints. However, in the area of the QSAR of chemical-biological interactions, it has received little attention. Recently we have shown that one can use the simple summation of the valence electrons (H = 1, C = 4, O = 6, etc.) in a molecule as a measure of its polarizability. We have found this parameter to correlate nerve toxicity of a wide variety of chemicals acting on nerves of frogs, rabbits, cockroaches, and humans.

摘要

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