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Xenobiotica
the fate of foreign compounds in biological systems
Volume 19, 1989 - Issue 2
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Original Article

Molecular orbital calculations on tumour-inhibitory aniline mustards: QSARs

Pages 243-251 | Received 10 Mar 1988, Accepted 01 Sep 1988, Published online: 30 Sep 2009
 

Abstract

1. Molecular orbital calculations by the MINDO/3 method are reported for a series of 23 para-substituted aniline mustards.

2. Quantitative structure-activity relationships are presented which show that electronic structural parameters can be related to a number of features of aniline mustard reactivity.

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