John B. O. Mitchell

Dr. John B. O. Mitchell is a Senior Lecturer in the School of Chemistry at the University of St Andrews, UK. His research bridges computational chemistry, bioinformatics, and toxicology, with a focus on machine learning applications in solubility prediction, enzyme catalysis, and protein-ligand interactions.

• PhD in Theoretical Chemistry (University of Cambridge, 1991)
• Readership at St Andrews since 2009
• Active in Mitchell Group

His research spans:

• Machine Learning for regression/classification in solubility, bioactivity, and toxicity
• Molecular Simulation of enzymes and substrates via Molecular Dynamics
• Quantum Chemistry (Hartree-Fock, DFT) for reaction energetics
• Bioinformatics of enzyme evolutionary histories and MACiE database
• Computational Toxicology (e.g., phospholipidosis prediction)

Recent publications highlight applications in plastic-degrading enzymes, drug design, and Bayesian network modeling. Scientific awards include multiple iGEM Gold Medals (2010-2019) and a Bronze Medal (2018).

• Teaching roles: Electronic Structure Calculations, Scientific Writing, Statistical Mechanics
• Collaborations with industry in pharmaceuticals, food science, and biofuels