Welcome to the John Mitchell research group website

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.

News

• John's new presentation: Humanity v The Machines: An AI Challenge (July 2019).


• Eureka publish an interview with John, discussing AI in chemistry (2 Jul 2019).


• Here are the slides from John's seminar on Random Forest (18 June 2019).


• Some of John's more general interest teaching slides are available online. Here are the Science and Religion Lectures from ID1003: Religious Belief and the Rise of Science and Fine Tuning and the God of the Gaps, the History of Atomic Theory from ID1004, and two lectures on scientific writing from CH4431: Scientific Literature: the Languages and Dialects of Science and Writing a Good Review Article (24 Oct 2018).


• The slides from John's Seminar in Edinburgh: First Principles and Machine Learning Calculations of Aqueous Solubility are available (3 Oct 18).


• Welcome to Eugene Shrimpton-Phoenix, joint EastBio PhD student with Michael Bühl. Eugene is researching Computational Approaches for Enzyme Redesign (27 Sept 2018).


• In case you ever wondered, we are probably not Sims, according to John's presentation to the Institute for Data-Intensive Research at St Andrews (16 Aug 2018).


• Could AI heal our diseases? Artificial Intelligence in Pharmaceutical Research and Development is published in Future Medicinal Chemistry (9 Jul 2018).
  
  
• Who wins - mankind or AI? Can human experts predict solubility better than computers? is available Open Access in the Journal of Cheminformatics (13 Dec 2017).


• Enzyme function and its evolution is published in Current Opinion in Structural Biology (27 Oct 2017).

Teaching material (sorry, St Andrews access only) for CH1202, CH3441, CH3717, CH4431, CH5714, ID1003, ID1004, ID2005, CRITICAT and SUPACCH.

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