Imputation of Assay Bioactivity Data Using Deep Learning
Whitehead, T. M, Irwin, B. W. J, Hunt, P, Segall, M. D, Conduit, G. J
Published in Journal of chemical information and modeling (25.03.2019)
Published in Journal of chemical information and modeling (25.03.2019)
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Journal Article
Gaussian Processes: A Method for Automatic QSAR Modeling of ADME Properties
Obrezanova, Olga, Csányi, Gábor, Gola, Joelle M. R, Segall, Matthew D
Published in Journal of chemical information and modeling (01.09.2007)
Published in Journal of chemical information and modeling (01.09.2007)
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Journal Article
Predicting ADME properties in silico: methods and models
Butina, Darko, Segall, Matthew D, Frankcombe, Katrina
Published in Drug discovery today (01.06.2002)
Published in Drug discovery today (01.06.2002)
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Journal Article
Bilateral cystoid maculopathy as first manifestation of SARS-CoV-2 infection
Stanescu-Segall, D., Zarka, J., Pedinielli, A., Gaudric, A., Bodaghi, B., Touhami, S.
Published in Journal francais d'ophtalmologie (01.05.2021)
Published in Journal francais d'ophtalmologie (01.05.2021)
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Journal Article
First-principles simulation: ideas, illustrations and the CASTEP code
Segall, M D, Lindan, Philip J D, Probert, M J, Pickard, C J, Hasnip, P J, Clark, S J, Payne, M C
Published in Journal of physics. Condensed matter (25.03.2002)
Published in Journal of physics. Condensed matter (25.03.2002)
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Journal Article
Time Averaging of NMR Chemical Shifts in the MLF Peptide in the Solid State
Gortari, Itzam De, Portella, Guillem, Salvatella, Xavier, Bajaj, Vikram S, van der Wel, Patrick C. A, Yates, Jonathan R, Segall, Matthew D, Pickard, Chris J, Payne, Mike C, Vendruscolo, Michele
Published in Journal of the American Chemical Society (05.05.2010)
Published in Journal of the American Chemical Society (05.05.2010)
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Journal Article
Replenishing the malaria drug discovery pipeline: Screening and hit evaluation of the MMV Hit Generation Library 1 (HGL1) against asexual blood stage Plasmodium falciparum, using a nano luciferase reporter read-out
Dechering, Koen J., Timmerman, Martijn, Rensen, Kim, Koolen, Karin M.J., Honarnejad, Saman, Vos, Martijn W., Huijs, Tonnie, Henderson, Rob W.M., Chenu, Elodie, Laleu, Benoît, Montefiore, Bailey C., Segall, Matthew D., Mills, James E.J., Guantai, Eric M., Duffy, James, Duffey, Maëlle
Published in SLAS discovery (01.09.2022)
Published in SLAS discovery (01.09.2022)
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Journal Article
Deep imputation on large‐scale drug discovery data
Irwin, Benedict W. J., Whitehead, Thomas M., Rowland, Scott, Mahmoud, Samar Y., Conduit, Gareth J., Segall, Matthew D.
Published in Applied AI Letters (01.09.2021)
Published in Applied AI Letters (01.09.2021)
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Journal Article
Functional aspects of drusen regression in age-related macular degeneration
Sallo, F B, Rechtman, E, Peto, T, Stanescu-Segall, D, Vogt, G, Bird, A C, Fitzke, F W
Published in British journal of ophthalmology (01.10.2009)
Published in British journal of ophthalmology (01.10.2009)
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Journal Article
BSEP, MRP, and DILI… just a bad hand at scrabble?
Foster, Nick, Segall, Matthew D., Hunt, Peter
Published in Drug metabolism and pharmacokinetics (01.01.2017)
Published in Drug metabolism and pharmacokinetics (01.01.2017)
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Journal Article
Alternative variables in drug discovery: promises and challenges
Abad-Zapatero, Cele, Champness, Edmund J, Segall, Matthew D
Published in Future medicinal chemistry (01.04.2014)
Published in Future medicinal chemistry (01.04.2014)
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Journal Article
Focus on success: using a probabilistic approach to achieve an optimal balance of compound properties in drug discovery
Segall, Matt D, Beresford, Alan P, Gola, Joelle Mr, Hawksley, Dan, Tarbit, Mike H
Published in Expert opinion on drug metabolism & toxicology (01.04.2006)
Published in Expert opinion on drug metabolism & toxicology (01.04.2006)
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Journal Article
Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning
Öeren, Mario, Walton, Peter J., Suri, James, Ponting, David J., Hunt, Peter A., Segall, Matthew D.
Published in Journal of medicinal chemistry (27.10.2022)
Published in Journal of medicinal chemistry (27.10.2022)
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Journal Article