for Physical Chemists by Physical Chemists

From Hammett to the Semantic Web. Evolution of Predictive Methods

Professor David Leahy, Molecular Informatics Group, University of Newcastle

Physical Organic Chemistry works well when experiment and prediction are tightly coupled and methods for predicting the properties of molecules from chemical structure have changed significantly over the last 30 years The talk presents current research interests in prediction exploiting modern information systems compared to classical approaches.

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Last modified: 28 April 2008