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Inslico-Prediction of Drug Solubility in Aquous Media by Theoritical Descriptors and QSAR Method
International Journal of Chemistry and Pharmaceutical Sciences Journal Home
The most key factor in transition of drugs across the biological membrane is their solubility in water. In this study, a novel theoretical model was proposed for the prediction of drug solubility in the aqueous media (log 1/S) by using employing the molecular structure descriptors. The data set consists of 58 different drugs. Molecular descriptors were calculated and selected by genetic algorithm (GA) and stepwise-multiple linear regression (SMLR) methods. The selected descriptors with GA were:fatcat:27xinrbxtffw5esqkchqi5lzfq