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 inhibiti on of microsomal p-hydroxylation of aniline by aliphatic alcohols. Models w ith two, three and four weighted path numbers are considered. Fit and cross -validated statistical parameters are used to measure the model quality. Th e best statistical parameters possess models with four weighted path number s. Comparison with models from the literature favors models based on the we ighted path numbers.