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ORCIDMatthew D. Segall
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Journal Articles
- 2023
[j16]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): 3340-3349 (2023)- 2021
- [j15]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): 541-555 (2021) - [j14]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): 1125-1140 (2021) - 2020
- [j13]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): 2848-2857 (2020) - [j12]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): 2989-2997 (2020) - 2019
- [j11]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): 1197-1204 (2019) - 2018
- [j10]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): 537-546 (2018) - 2016
- [j9]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): 2180-2193 (2016) - 2015
- [j8]Matthew D. Segall, Edmund J. Champness:
The challenges of making decisions using uncertain data. J. Comput. Aided Mol. Des. 29(9): 809-816 (2015) - 2012
- [j7]Matthew D. Segall:
Can we really do computer-aided drug design? J. Comput. Aided Mol. Des. 26(1): 121-124 (2012) - 2011
- [j6]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): 2967-2976 (2011) - 2010
- [j5]Matthew D. Segall, Andrew Chadwick:
Making priors a priority. J. Comput. Aided Mol. Des. 24(12): 957-960 (2010) - [j4]Olga Obrezanova, Matthew D. Segall:
Gaussian Processes for Classification: QSAR Modeling of ADMET and Target Activity. J. Chem. Inf. Model. 50(6): 1053-1061 (2010) - 2008
- [j3]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): 431-440 (2008) - 2007
- [j2]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): 1847-1857 (2007) - 1999
- [j1]Matthew D. Segall, Dan Z. Reinstein, Neil F. Johnson:
Visualizing VHF Ultrasound of the Human Cornea. IEEE Computer Graphics and Applications 19(4): 74-82 (1999)
Coauthor Index
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