John Mitchell Group

Welcome to the John Mitchell research group

University of St Andrews

We are an Informatics and Computational Chemistry research group. Our group is based in the Purdie building on the North Haugh in St Andrews.

Research areas we are interested in are enzyme catalysis, protein-ligand interactions, molecular evolution and structural bioinformatics, computational toxicology, prediction of solubility and other molecular properties, and the classification of drugs used for doping in sport.

Thanks to our Sponsors


Drug design for CNS diseases: polypharmacological profiling of compounds using cheminformatic, 3D-QSAR and virtual screening methodologies is available online (10 June 2016).

A Random Forest Model for Predicting Allosteric and Functional Sites on Proteins by Ava Sih-Yu Chen et al. is published in Molecular Informatics (21 Jan 2016)

Teaching material for CH1202, ID1003, CH3441, CH3717, CH5714, SUPACCH, and BL4273.