Quantitative structure-property relationship studies for aqueous solubility of polychlorinated biphenyls and octanol-water partition coefficients of hydrocarbon compounds

Study on quantitative structure-property relationship (QSPR) of organics would be helpful in researching for equeous solubility (pS) and octanal-water partition coefficients (logKsw) of organics.A newly developed generalized correlative index (GCI) was used to describe the chemical structure of selected organics.After the structural characterization,the descriptors obtained were screened by stepwise multiple regression (SMR).The result showed that the model had favorable stability and good prediction capabilities and the GCI was applicable to the molecular structural characterization and biological activity prediction.