Estimation of aqueous solubility of organic molecules by the group contribution approach. Application to the study of biodegradation


A reliable and generally applicable aqueous solubility estimation method for organic compounds based on a group contribution approach has been developed. Two models have been established based on two different sets of parameters. One has a higher accuracy, while the other has a more general applicability. The prediction potentials of these two models have… (More)
DOI: 10.1021/ci00009a013