Abstract:A computer program called PREHAC was developed. This aids in the prediction of highly bioactive compounds among congeners in series of aliphatic monosubstituted derivatives and aromatic mono-, di-and tri-substituted ones, based on the Hansch-Fujita method. The PREHAC program is applicable to two phases included in the computer-assisted lead optimization: the development of a QSAR equation and the decision about the direction of structural modification based on the correlation, that is, the selection of substit… Show more
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