Predicting Inhibition of Microsomal p-Hydroxylation of Aniline by Aliphatic Alcohols: A QSAR Approach Based on the Weighted Path Numbers

Weighted path numbers are used to build QSAR models for predicting inhibition of microsomal p-hydroxylation of aniline by aliphatic alcohols. Models with two, three and four weighted path numbers are considered. Fit and cross-validated statistical parameters are used to measure the model quality. The best statistical parameters possess models with four weighted path numbers. Comparison with models from the literature favors models based on the weighted path numbers.