ChEMBL: towards direct deposition of bioassay data von Mendez, David, Gaulton, Anna, Bento, A Patrícia, Chambers, Jon, De Veij, Marleen, Félix, Eloy, Magariños, María Paula, Mosquera, Juan F, Mutowo, Prudence, Nowotka, Michał, Gordillo-Marañón, María, Hunter, Fiona, Junco, Laura, Mugumbate, Grace, Rodriguez-Lopez, Milagros, Atkinson, Francis, Bosc, Nicolas, Radoux, Chris J, Segura-Cabrera, Aldo, Hersey, Anne, Leach, Andrew R

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Protodeboronation of Heteroaromatic, Vinyl, and Cyclopropyl Boronic Acids: pH–Rate Profiles, Autocatalysis, and Disproportionation von Cox, Paul A, Leach, Andrew G, Campbell, Andrew D, Lloyd-Jones, Guy C

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The ChEMBL Database in 2023: a drug discovery platform spanning multiple bioactivity data types and time periods von Zdrazil, Barbara, Felix, Eloy, Hunter, Fiona, Manners, Emma J, Blackshaw, James, Corbett, Sybilla, de Veij, Marleen, Ioannidis, Harris, Lopez, David Mendez, Mosquera, Juan F, Magarinos, Maria Paula, Bosc, Nicolas, Arcila, Ricardo, Kizilören, Tevfik, Gaulton, Anna, Bento, A Patrícia, Adasme, Melissa F, Monecke, Peter, Landrum, Gregory A, Leach, Andrew R

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Base-Catalyzed Aryl-B(OH)2 Protodeboronation Revisited: From Concerted Proton Transfer to Liberation of a Transient Aryl Anion von Cox, Paul A, Reid, Marc, Leach, Andrew G, Campbell, Andrew D, King, Edward J, Lloyd-Jones, Guy C

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An analysis of the attrition of drug candidates from four major pharmaceutical companies von Waring, Michael J., Arrowsmith, John, Leach, Andrew R., Leeson, Paul D., Mandrell, Sam, Owen, Robert M., Pairaudeau, Garry, Pennie, William D., Pickett, Stephen D., Wang, Jibo, Wallace, Owen, Weir, Alex

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Data-Driven Derivation of Molecular Substructures That Enhance Drug Activity in Gram-Negative Bacteria von Gurvic, Dominik, Leach, Andrew G, Zachariae, Ulrich

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An open source chemical structure curation pipeline using RDKit von Bento, A. Patrícia, Hersey, Anne, Félix, Eloy, Landrum, Greg, Gaulton, Anna, Atkinson, Francis, Bellis, Louisa J., De Veij, Marleen, Leach, Andrew R.

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An Introduction to Chemoinformatics von Leach, Andrew R

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The no more Pipelines Act? von Leach, Andrew

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

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The PROTACtable genome von Schneider, Melanie, Radoux, Chris J., Hercules, Andrew, Ochoa, David, Dunham, Ian, Zalmas, Lykourgos-Panagiotis, Hessler, Gerhard, Ruf, Sven, Shanmugasundaram, Veerabahu, Hann, Michael M., Thomas, Pam J., Queisser, Markus A., Benowitz, Andrew B., Brown, Kris, Leach, Andrew R.

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Environmental policy is economic policy: Climate change policy and the general trade and commerce power von Leach, Andrew

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Photoswitchable Azobispyrazole Crystals Achieving Near-Quantitative Crystalline-State Bidirectional E ⇆ Z Conversions von He, Yixin, Dang, Tongtong, Leach, Andrew G., Zhang, Zhao-Yang, Li, Tao

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The ChEMBL database in 2017 von Gaulton, Anna, Hersey, Anne, Nowotka, Michał, Bento, A Patrícia, Chambers, Jon, Mendez, David, Mutowo, Prudence, Atkinson, Francis, Bellis, Louisa J, Cibrián-Uhalte, Elena, Davies, Mark, Dedman, Nathan, Karlsson, Anneli, Magariños, María Paula, Overington, John P, Papadatos, George, Smit, Ines, Leach, Andrew R

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Large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery von Bosc, Nicolas, Atkinson, Francis, Felix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.

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Prediction of Protein−Ligand Interactions. Docking and Scoring:  Successes and Gaps von Leach, Andrew R, Shoichet, Brian K, Peishoff, Catherine E

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Matched molecular pairs as a medicinal chemistry tool von Griffen, Ed, Leach, Andrew G, Robb, Graeme R, Warner, Daniel J

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Editorial overview: Restructuring drug design and development von Leach, Andrew R, Ondrus, Alison E

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Three-Dimensional Pharmacophore Methods in Drug Discovery von Leach, Andrew R, Gillet, Valerie J, Lewis, Richard A, Taylor, Robin

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Target-Based Evaluation of “Drug-Like” Properties and Ligand Efficiencies von Leeson, Paul D, Bento, A. Patricia, Gaulton, Anna, Hersey, Anne, Manners, Emma J, Radoux, Chris J, Leach, Andrew R

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