by Marina Chenery | Sep 5, 2012 | In Silico Modelling, Publications and presentations
Comprehensive comparison of automatically generated QSAR models of target potency Matt gave this presentation at the ACS National Spring Meeting 2012. Abstract Automatic QSAR model building methods are now readily available and have been successfully applied to a...
by Marina Chenery | Sep 4, 2012 | General, Publications and presentations
Can We Really Do Computer-aided Drug Design? Matt gave this presentation at the ACS National Spring Meeting 2012. Abstract We will explore the accuracy of current computational methods in drug discovery, including 2D and 3D QSAR, docking, pharmacophore, molecular...
by Marina Chenery | Sep 4, 2012 | General, Publications and presentations
Relative Drug Likelihood: Going Beyond Drug-Likeness Matt gave this presentation at the ACS National Fall Meeting 2012. Abstract Many approaches have been used to characterise compounds as ‘drug-like’ or not based on the similarity of simple properties of...