Comparison of two methods for predicting aqueous solubility

This study compares the solubility predictions of the two parameter general solubility equation (GSE) of Jain and Yalkowsky with the 171 parameter Klo pman group contribution approach. Melting points and partition coefficients were obtained for each of the compounds from Klopman's test set. Using the se two variables, the solubility of each compound was calculated by the GSE and compared to the values predicted by Klopman. Both methods give reasona ble solubility predictions. The data of Klopman produced an average absolut e error (AAE) of 0.71 and a root-mean-square error (RMSE) of 0.86, while th e GSE had an AAE of 0.64 and a RMSE of 0.92.