Molecular orbital calculations on tumour-inhibitory phenyl aziridines: QSARs.
1. Molecular orbital calculations, by the MINDO/3 method, on tumour-inhibitory phenyl aziridines are reported. 2. The generation of quantitative structure-activity relationships (QSARs) shows that biological activity, chemical reactivity and hydrophobicity can be explained in terms of theoretically-derived electronic structural parameters.
Lewis
D F
DF
Department of Biochemistry, University of Surrey, Guildford, UK.
D000970:Antineoplastic Agents; D001388:Aziridines; D001389:Azirines; D055598:Chemical Phenomena; D002621:Chemistry; D015394:Molecular Structure; D013329:Structure-Activity Relationship
D000970:Antineoplastic Agents; D001388:Aziridines; D001389:Azirines