QSPR Prediction of Aqueous Solubility of Drug-Like Organic Compounds
Abstract
A quantitative structure property relationship (QSPR) study was performed to develop a model that relates the structures of 150 drug organic compounds to their aqueous solubility (log S(w)). Molecular descriptors derived solely from 3D structure were used to represent molecular structures. A subset of the calculated descriptors selected using stepwise regression that used in the QSPR model development. Multiple linear regression (MLR) is...
Paper Details
Title
QSPR Prediction of Aqueous Solubility of Drug-Like Organic Compounds
Published Date
Jan 1, 2007
Volume
55
Issue
4
Pages
669 - 674
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