Cheminformatics and computational chemistry in lead optimisation

por Leach, Andrew R
Publicado 2011

Canadian Electricity Markets during the COVID-19 Pandemic: An Initial Assessment

por Leach, Andrew, Rivers, Nic, Shaffer, Blake
Publicado 2020

Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria

por Gurvic, Dominik, Leach, Andrew G., Zachariae, Ulrich
Publicado 2022

The Pathological Effects of Circulating Hydrophobic Bile Acids in Alzheimer’s Disease

por Ehtezazi, Touraj, Rahman, Khalid, Davies, Rhys, Leach, Andrew G.
Publicado 2023

Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level

por Copley, Hannah C., Gragert, Loren, Leach, Andrew R., Kosmoliaptsis, Vasilis
Publicado 2021

In Situ Studies of Arylboronic Acids/Esters and R(3)SiCF(3) Reagents: Kinetics, Speciation, and Dysfunction at the Carbanion–Ate Interface

por García-Domínguez, Andrés, Leach, Andrew G., Lloyd-Jones, Guy C.
Publicado 2022

Rigid and concave, 2,4-cis-substituted azetidine derivatives: A platform for asymmetric catalysis

por Yoshizawa, Akina, Feula, Antonio, Male, Louise, Leach, Andrew G., Fossey, John S.
Publicado 2018

Palladium and Platinum 2,4-cis-amino Azetidine and Related Complexes

por Yoshizawa, Akina, Feula, Antonio, Leach, Andrew G., Male, Louise, Fossey, John S.
Publicado 2018

Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery

por Bosc, Nicolas, Atkinson, Francis, Felix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Publicado 2019

Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”

por Bosc, Nicolas, Atkinson, Francis, Félix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Publicado 2019

Microwave-assisted synthesis of 4-oxo-2-butenoic acids by aldol-condensation of glyoxylic acid

por Uguen, Mélanie, Gai, Conghao, Sprenger, Lukas J., Liu, Hang, Leach, Andrew G., Waring, Michael J.
Publicado 2021

Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs

por Hunter, Fiona M.I., Bento, A. Patrícia, Bosc, Nicolas, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Publicado 2021

Illuminating the druggable genome through patent bioactivity data

por Magariños, Maria P., Gaulton, Anna, Félix, Eloy, Kiziloren, Tevfik, Arcila, Ricardo, Oprea, Tudor I., Leach, Andrew R.
Publicado 2023

Predicting protein–ligand binding affinity and correcting crystal structures with quantum mechanical calculations: lactate dehydrogenase A

por Lukac, Iva, Abdelhakim, Hend, Ward, Richard A., St-Gallay, Stephen A., Madden, Judith C., Leach, Andrew G.
Publicado 2019

Mechanistic Studies on a Sulfoxide Transfer Reaction Mediated by Diphenyl Sulfoxide/Triflic Anhydride

por Fascione, Martin A, Adshead, Sophie J, Mandal, Pintu K, Kilner, Colin A, Leach, Andrew G, Turnbull, W Bruce
Publicado 2012

A large-scale dataset of in vivo pharmacology assay results

por Hunter, Fiona M. I., L. Atkinson, Francis, Bento, A. Patrícia, Bosc, Nicolas, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Publicado 2018

Target-based evaluation of ‘drug-like’ properties and ligand efficiencies

por Leeson, Paul D., Bento, A. Patricia, Gaulton, Anna, Hersey, Anne, Manners, Emma J., Radoux, Chris J., Leach, Andrew R.
Publicado 2021

Trialkylammonium salt degradation: implications for methylation and cross-coupling

por Washington, Jack B., Assante, Michele, Yan, Chunhui, McKinney, David, Juba, Vanessa, Leach, Andrew G., Baillie, Sharon E., Reid, Marc
Publicado 2021

Discovery of an inhibitor of DNA-driven inflammation that preferentially targets the AIM2 inflammasome

por Green, Jack P., El-Sharkawy, Lina Y., Roth, Stefan, Zhu, Jie, Cao, Jiayu, Leach, Andrew G., Liesz, Arthur, Freeman, Sally, Brough, David
Publicado 2023

Electronic metal-support interaction enhanced oxygen reduction activity and stability of boron carbide supported platinum

por Jackson, Colleen, Smith, Graham T., Inwood, David W., Leach, Andrew S., Whalley, Penny S., Callisti, Mauro, Polcar, Tomas, Russell, Andrea E., Levecque, Pieter, Kramer, Denis
Publicado 2017