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Molecular orbital calculations on tumour-inhibitory phenyl aziridines: QSARs
1Department of Biochemistry, University of Surrey, Guildford, UK.
Abstract:
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.
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