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