Mark J. Williamson

Publication Activity (10 Years)

Years Active: 2004-2021
Publications (10 Years): 1

Top Topics

Probabilistic Classifiers

Gaussian Curvature

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Mark D. Driver, Mark J. Williamson, Nicola De Mitri, Teodor Nikolov, Christopher A. Hunter
SSIPTools: Software and Methodology for Surface Site Interaction Point (SSIP) Approach and Applications. J. Chem. Inf. Model. 61 (11) (2021)
Jonathan D. Tyzack, Hamse Y. Mussa, Mark J. Williamson, Johannes Kirchmair, Robert C. Glen
Cytochrome P450 site of metabolism prediction from 2D topological fingerprints using GPU accelerated probabilistic classifiers. J. Cheminformatics 6 (1) (2014)
Johannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark J. Williamson, Samuel E. Adams, Thomas Hankemeier, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen
How Do Metabolites Differ from Their Parent Molecules and How Are They Excreted? J. Chem. Inf. Model. 53 (2) (2013)
Johannes Kirchmair, Andrew Howlett, Julio E. Peironcely, Daniel S. Murrell, Mark J. Williamson, Samuel E. Adams, Thomas Hankemeier, Leo van Buren, Guus Duchateau, Werner Klaffke, Robert C. Glen
Quantifying the shifts in physicochemical property space introduced by the metabolism of small organic molecules. J. Cheminformatics 5 (S-1) (2013)
Johannes Kirchmair, Mark J. Williamson, Avid M. Afzal, Jonathan D. Tyzack, Alison P. K. Choy, Andrew Howlett, Patrik Rydberg, Robert C. Glen
FAst MEtabolizer (FAME): A Rapid and Accurate Predictor of Sites of Metabolism in Multiple Species by Endogenous Enzymes. J. Chem. Inf. Model. 53 (11) (2013)
Jonathan D. Tyzack, Mark J. Williamson, Rubben Torella, Robert C. Glen
Prediction of Cytochrome P450 Xenobiotic Metabolism: Tethered Docking and Reactivity Derived from Ligand Molecular Orbital Analysis. J. Chem. Inf. Model. 53 (6) (2013)
Johannes Kirchmair, Mark J. Williamson, Jonathan D. Tyzack, Lu Tan, Peter J. Bond, Andreas Bender, Robert C. Glen
Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and Mechanisms. J. Chem. Inf. Model. 52 (3) (2012)
Henry S. Rzepa, Andrew Wheat, Mark J. Williamson
ChemSem: An Extensible and Scalable RSS-Based Seminar Alerting System for Scientific Collaboration. J. Chem. Inf. Model. 46 (3) (2006)
Peter Murray-Rust, Henry S. Rzepa, Mark J. Williamson, Egon L. Willighagen
Chemical Markup, XML, and the World Wide Web. 5. Applications of Chemical Metadata in RSS Aggregators. J. Chem. Inf. Model. 44 (2) (2004)