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Journal of Chemical Information and Modeling
|
October 19, 2016
Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations
Jonathan D Tyzack, Peter A Hunt, Matthew D Segall
Journal of Computer-Aided Molecular Design
|
February 22, 2018
WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound
Peter A Hunt, Matthew D Segall, Jonathan D Tyzack
Journal of Chemical Information and Modeling
|
July 3, 2007
Gaussian processes: a method for automatic QSAR modeling of ADME properties
Olga Obrezanova, Gabor Csanyi, Joelle M R Gola, et al.
Drug Discovery Today
|
January 24, 2014
Finding the rules for successful drug optimisation
Iskander Yusof, Falgun Shah, Tatsu Hashimoto, et al.
Journal of Computer-Aided Molecular Design
|
February 15, 2008
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility
Olga Obrezanova, Joelle M R Gola, Edmund J Champness, et al.
Xenobiotica; the Fate of Foreign Compounds in Biological Systems
|
November 15, 2023
Predicting routes of phase I and II metabolism based on quantum mechanics and machine learning
Mario Öeren, Peter A Hunt, Charlotte E Wharrick, et al.
Journal of Computer-Aided Molecular Design
|
June 14, 2020
Predicting reactivity to drug metabolism: beyond P450s-modelling FMOs and UGTs
Mario Öeren, Peter J Walton, Peter A Hunt, et al.
Journal of Chemical Information and Modeling
|
May 25, 2023
Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs
Mario Öeren, Sylvia C Kaempf, David J Ponting, et al.
Journal of Medicinal Chemistry
|
October 14, 2022
Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning
Mario Öeren, Peter J Walton, James Suri, et al.
Journal of Chemical Information and Modeling
|
June 2, 2020
Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery Data
Benedict W J Irwin, Julian R Levell, Thomas M Whitehead, et al.
Page
of 3
Search research articles
Search
Showing results (11-20 of 24) with videos related to
Sort By:
Page
of 3
Journal of Chemical Information and Modeling
|
October 19, 2016
Predicting Regioselectivity and Lability of Cytochrome P450 Metabolism Using Quantum Mechanical Simulations
Jonathan D Tyzack, Peter A Hunt, Matthew D Segall
Journal of Computer-Aided Molecular Design
|
February 22, 2018
WhichP450: a multi-class categorical model to predict the major metabolising CYP450 isoform for a compound
Peter A Hunt, Matthew D Segall, Jonathan D Tyzack
Journal of Chemical Information and Modeling
|
July 3, 2007
Gaussian processes: a method for automatic QSAR modeling of ADME properties
Olga Obrezanova, Gabor Csanyi, Joelle M R Gola, et al.
Drug Discovery Today
|
January 24, 2014
Finding the rules for successful drug optimisation
Iskander Yusof, Falgun Shah, Tatsu Hashimoto, et al.
Journal of Computer-Aided Molecular Design
|
February 15, 2008
Automatic QSAR modeling of ADME properties: blood-brain barrier penetration and aqueous solubility
Olga Obrezanova, Joelle M R Gola, Edmund J Champness, et al.
Xenobiotica; the Fate of Foreign Compounds in Biological Systems
|
November 15, 2023
Predicting routes of phase I and II metabolism based on quantum mechanics and machine learning
Mario Öeren, Peter A Hunt, Charlotte E Wharrick, et al.
Journal of Computer-Aided Molecular Design
|
June 14, 2020
Predicting reactivity to drug metabolism: beyond P450s-modelling FMOs and UGTs
Mario Öeren, Peter J Walton, Peter A Hunt, et al.
Journal of Chemical Information and Modeling
|
May 25, 2023
Predicting Regioselectivity of Cytosolic Sulfotransferase Metabolism for Drugs
Mario Öeren, Sylvia C Kaempf, David J Ponting, et al.
Journal of Medicinal Chemistry
|
October 14, 2022
Predicting Regioselectivity of AO, CYP, FMO, and UGT Metabolism Using Quantum Mechanical Simulations and Machine Learning
Mario Öeren, Peter J Walton, James Suri, et al.
Journal of Chemical Information and Modeling
|
June 2, 2020
Practical Applications of Deep Learning To Impute Heterogeneous Drug Discovery Data
Benedict W J Irwin, Julian R Levell, Thomas M Whitehead, et al.
Page
of 3