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Molecular orbital calculations on tumour-inhibitory aniline mustards: QSARs
1Department of Biochemistry, University of Surrey, Guildford, UK.
Xenobiotica; the Fate of Foreign Compounds in Biological Systems
|February 1, 1989
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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