Cheminformatics and computational chemistry in lead optimisation

ανά Leach, Andrew R
Έκδοση 2011

Molecular modelling : principles and applications /

ανά Leach, Andrew R.
Έκδοση 2001.

Structure-based drug discovery

ανά Jhoti, Harren., Leach, Andrew R.
Έκδοση 2007.

An introduction to chemoinformatics

ανά Leach, Andrew R., Gillet, Valerie J.
Έκδοση 2007

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

ανά Leach, Andrew, Rivers, Nic, Shaffer, Blake
Τόπος έκδοσης Can Public Policy (2020)

Computed Tomography Practice Standards for Severe Pediatric Traumatic Brain Injury in the Emergency Department: a National Survey

ανά Yoo, Gloria, Leach, Andrew, Woods, Rob, Holt, Tanya, Hansen, Gregory
Τόπος έκδοσης J Child Adolesc Trauma (2020)

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

ανά Copley, Hannah C., Gragert, Loren, Leach, Andrew R., Kosmoliaptsis, Vasilis
Τόπος έκδοσης Front Immunol (2021)

Beyond Picomolar Affinities: Quantitative Aspects of Noncovalent and Covalent Binding of Drugs to Proteins

ανά Smith, Adam J. T., Zhang, Xiyun, Leach, Andrew G., Houk, K. N.
Έκδοση 2009

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

ανά Yoshizawa, Akina, Feula, Antonio, Male, Louise, Leach, Andrew G., Fossey, John S.
Τόπος έκδοσης Sci Rep (2018)

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

ανά Yoshizawa, Akina, Feula, Antonio, Leach, Andrew G., Male, Louise, Fossey, John S.
Τόπος έκδοσης Front Chem (2018)

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

ανά Bosc, Nicolas, Atkinson, Francis, Felix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Τόπος έκδοσης J Cheminform (2019)

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

ανά Bosc, Nicolas, Atkinson, Francis, Félix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Τόπος έκδοσης J Cheminform (2019)

Using ChEMBL web services for building applications and data processing workflows relevant to drug discovery

ανά Nowotka, Michał M., Gaulton, Anna, Mendez, David, Bento, A. Patricia, Hersey, Anne, Leach, Andrew
Τόπος έκδοσης Expert Opin Drug Discov (2017)

Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs

ανά Hunter, Fiona M.I., Bento, A. Patrícia, Bosc, Nicolas, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Τόπος έκδοσης Chem Res Toxicol (2021)

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

ανά Lukac, Iva, Abdelhakim, Hend, Ward, Richard A., St-Gallay, Stephen A., Madden, Judith C., Leach, Andrew G.
Τόπος έκδοσης Chem Sci (2019)

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

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

A large-scale dataset of in vivo pharmacology assay results

ανά Hunter, Fiona M. I., L. Atkinson, Francis, Bento, A. Patrícia, Bosc, Nicolas, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Τόπος έκδοσης Sci Data (2018)

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

ανά Leeson, Paul D., Bento, A. Patricia, Gaulton, Anna, Hersey, Anne, Manners, Emma J., Radoux, Chris J., Leach, Andrew R.
Τόπος έκδοσης J Med Chem (2021)

Trialkylammonium salt degradation: implications for methylation and cross-coupling

ανά Washington, Jack B., Assante, Michele, Yan, Chunhui, McKinney, David, Juba, Vanessa, Leach, Andrew G., Baillie, Sharon E., Reid, Marc
Τόπος έκδοσης Chem Sci (2021)

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

ανά 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
Τόπος έκδοσης Nat Commun (2017)