In-Silico Prediction of Drug Safety and Metabolites Using Bioclipse

Ola Spjuth

In silico drug safety assessment and prediction of site-of-metabolism are important topics in drug development.  This talk will introduce these fields and a theoretical background on some of the computational methods which can be used to improve decision-making.  The talk also includes demonstrations of modules for predictive toxicology and site-of-metabolism in Bioclipse, a free and open source workbench for the life sciences.