Molecular orbital calculations on tumour-inhibitory aniline mustards: QSARs.
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.
Lewis
D F
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Department of Biochemistry, University of Surrey, Guildford, UK.
D000478:Alkylation; D003432:Cross-Linking Reagents; D004247:DNA; D004360:Drug Therapy, Computer-Assisted; D009588:Nitrogen Mustard Compounds / Q000494:pharmacology*; D013329:Structure-Activity Relationship
D003432:Cross-Linking Reagents; D009588:Nitrogen Mustard Compounds; D004247:DNA