Abstract
AbstractRelationships are formulated to explain the variation in dihydrofolate reductase inhibitory potency for a series of 25 substituted quinazolines, with an antineoplastic potential. Highly significant correlations are obtained using CNDO/2–3R calculated indices and/or the empirically estimated molecular polarizability as independent variables. The MO calculated indices employed are the atomic polarizability, as defined herein, and bond energy. The molecular polarizability is represented by a simple sum of environment independent partial atomic polarizabilities. The partial polarizabilities, reported here for H, C, N, O, F, S, Cl, and Br, are obtained from a multiple regression forced through the origin.
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