Matthew D. Segall

Publication Activity (10 Years)

Years Active: 1999-2023
Publications (10 Years): 8

Top Topics

Quantum Mechanics

Naive Bayes Classification

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

Publications

Mario Öeren, Sylvia C. Kaempf, David J. Ponting, Peter A. Hunt, Matthew D. Segall
Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs. J. Chem. Inf. Model. 63 (11) (2023)
Mario Öeren, Peter J. Walton, Peter A. Hunt, David J. Ponting, Matthew D. Segall
Predicting reactivity to drug metabolism: beyond P450s - modelling FMOs and UGTs. J. Comput. Aided Mol. Des. 35 (4) (2021)
Samar Mahmoud, Benedict W. J. Irwin, Dmitriy Chekmarev, Shyam Vyas, Jeff Kattas, Thomas M. Whitehead, Tamsin Mansley, Jack Bikker, Gareth John Conduit, Matthew D. Segall
Imputation of sensory properties using deep learning. J. Comput. Aided Mol. Des. 35 (11) (2021)
Benedict W. J. Irwin, Julian R. Levell, Thomas M. Whitehead, Matthew D. Segall, Gareth John Conduit
Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery Data. J. Chem. Inf. Model. 60 (6) (2020)
Peter A. Hunt, Layla Hosseini-Gerami, Tomas Chrien, Jeffrey Plante, David J. Ponting, Matthew D. Segall
Predicting pKa Using a Combination of Semi-Empirical Quantum Mechanics and Radial Basis Function Methods. J. Chem. Inf. Model. 60 (6) (2020)
Thomas M. Whitehead, Benedict W. J. Irwin, Peter A. Hunt, Matthew D. Segall, Gareth John Conduit
Imputation of Assay Bioactivity Data Using Deep Learning. J. Chem. Inf. Model. 59 (3) (2019)
Peter A. Hunt, Matthew D. Segall, Jonathan D. Tyzack
WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound. J. Comput. Aided Mol. Des. 32 (4) (2018)
Jonathan D. Tyzack, Peter A. Hunt, Matthew D. Segall
Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations. J. Chem. Inf. Model. 56 (11) (2016)
Matthew D. Segall, Edmund J. Champness
The challenges of making decisions using uncertain data. J. Comput. Aided Mol. Des. 29 (9) (2015)
Matthew D. Segall
Can we really do computer-aided drug design? J. Comput. Aided Mol. Des. 26 (1) (2012)
Matthew D. Segall, Edmund J. Champness, Chris Leeding, Ryan H. Lilien, Ramgopal R. Mettu, Brian W. Stevens
Applying Medicinal Chemistry Transformations and Multiparameter Optimization to Guide the Search for High-Quality Leads and Candidates. J. Chem. Inf. Model. 51 (11) (2011)
Olga Obrezanova, Matthew D. Segall
Gaussian Processes for Classification: QSAR Modeling of ADMET and Target Activity. J. Chem. Inf. Model. 50 (6) (2010)
Matthew D. Segall, Andrew Chadwick
Making priors a priority. J. Comput. Aided Mol. Des. 24 (12) (2010)
Olga Obrezanova, Joelle M. R. Gola, Edmund J. Champness, Matthew D. Segall
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility. J. Comput. Aided Mol. Des. 22 (6-7) (2008)
Olga Obrezanova, Gábor Csányi, Joelle M. R. Gola, Matthew D. Segall
Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties. J. Chem. Inf. Model. 47 (5) (2007)
Matthew D. Segall, Dan Z. Reinstein, Neil F. Johnson
Visualizing VHF Ultrasound of the Human Cornea. IEEE Computer Graphics and Applications 19 (4) (1999)