Computational Tools And Resources For Metabolism-Related Property Predictions. 2. Application To Prediction Of Half-Life Time In Human Liver Microsomes

Abstract

In many cases, the accuracy of prediction achieved on one external test set did not correspond to the results achieved with another test set. The most predictive models were used for predicting the metabolic stability of compounds from the open NCI database, the results of which are publicly available on the NCI/CADD Group web server ( http://cactus.nci.nih.gov ).