Decision Support in Discovery through StarDrop

by Thanos Panagiotidis | Sep 11, 2012 | Drug Discovery Applications, Publications and presentations

Decision Support in Discovery through StarDrop Dr Vijay Gombar gave this presentation at the StarDrop User Group Meeting and Workshop during the ACS National Fall Meeting 2012. Summary Vijay presented some examples of the ways that he and his colleagues have been...

Comprehensive comparison of automatically generated QSAR models of target potency

by Thanos Panagiotidis | 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...

Can We Really Do Computer-aided Drug Design?

by Thanos Panagiotidis | 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...

Relative Drug Likelihood: Going Beyond Drug-Likeness

by Thanos Panagiotidis | 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...

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