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

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Drug mechanism‐of‐action discovery through the integration of pharmacological and CRISPR screens von Gonçalves, Emanuel, Segura‐Cabrera, Aldo, Pacini, Clare, Picco, Gabriele, Behan, Fiona M, Jaaks, Patricia, Coker, Elizabeth A, van der Meer, Donny, Barthorpe, Andrew, Lightfoot, Howard, Mironenko, Tatiana, Beck, Alexandra, Richardson, Laura, Yang, Wanjuan, Lleshi, Ermira, Hall, James, Tolley, Charlotte, Hall, Caitlin, Mali, Iman, Thomas, Frances, Morris, James, Leach, Andrew R, Lynch, James T, Sidders, Ben, Crafter, Claire, Iorio, Francesco, Fawell, Stephen, Garnett, Mathew J

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Influence of HLA Class II Polymorphism on Predicted Cellular Immunity Against SARS-CoV-2 at the Population and Individual Level von Copley, Hannah C., Gragert, Loren, Leach, Andrew R., Kosmoliaptsis, Vasilis

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Genome-wide association analysis and Mendelian randomization proteomics identify drug targets for heart failure von Rasooly, Danielle, Peloso, Gina M., Pereira, Alexandre C., Dashti, Hesam, Giambartolomei, Claudia, Wheeler, Eleanor, Aung, Nay, Ferolito, Brian R., Pietzner, Maik, Farber-Eger, Eric H., Wells, Quinn Stanton, Kosik, Nicole M., Gaziano, Liam, Posner, Daniel C., Bento, A. Patrícia, Hui, Qin, Liu, Chang, Aragam, Krishna, Wang, Zeyuan, Charest, Brian, Huffman, Jennifer E., Wilson, Peter W. F., Phillips, Lawrence S., Whittaker, John, Munroe, Patricia B., Petersen, Steffen E., Cho, Kelly, Leach, Andrew R., Magariños, María Paula, Gaziano, John Michael, Langenberg, Claudia, Sun, Yan V., Joseph, Jacob, Casas, Juan P.

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Drug Safety Data Curation and Modeling in ChEMBL: Boxed Warnings and Withdrawn Drugs von Hunter, Fiona M.I, Bento, A. Patrícia, Bosc, Nicolas, Gaulton, Anna, Hersey, Anne, Leach, Andrew R

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A data science roadmap for open science organizations engaged in early-stage drug discovery von Edfeldt, Kristina, Edwards, Aled M., Engkvist, Ola, Günther, Judith, Hartley, Matthew, Hulcoop, David G., Leach, Andrew R., Marsden, Brian D., Menge, Amelie, Misquitta, Leonie, Müller, Susanne, Owen, Dafydd R., Schütt, Kristof T., Skelton, Nicholas, Steffen, Andreas, Tropsha, Alexander, Vernet, Erik, Wang, Yanli, Wellnitz, James, Willson, Timothy M., Clevert, Djork-Arné, Haibe-Kains, Benjamin, Schiavone, Lovisa Holmberg, Schapira, Matthieu

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A compound-target pairs dataset: differences between drugs, clinical candidates and other bioactive compounds von Heinzke, A. Lina, Zdrazil, Barbara, Leeson, Paul D., Young, Robert J., Pahl, Axel, Waldmann, Herbert, Leach, Andrew R.

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MAIP: a web service for predicting blood‐stage malaria inhibitors von Bosc, Nicolas, Felix, Eloy, Arcila, Ricardo, Mendez, David, Saunders, Martin R., Green, Darren V. S., Ochoada, Jason, Shelat, Anang A., Martin, Eric J., Iyer, Preeti, Engkvist, Ola, Verras, Andreas, Duffy, James, Burrows, Jeremy, Gardner, J. Mark F., Leach, Andrew R.

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Illuminating the druggable genome through patent bioactivity data von Magariños, Maria P, Gaulton, Anna, Félix, Eloy, Kiziloren, Tevfik, Arcila, Ricardo, Oprea, Tudor I, Leach, Andrew R

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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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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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Integrative GWAS and co-localisation analysis suggests novel genes associated with age-related multimorbidity von West, Clare E., Karim, Mohd, Falaguera, Maria J., Speidel, Leo, Green, Charlotte J., Logie, Lisa, Schwartzentruber, Jeremy, Ochoa, David, Lord, Janet M., Ferguson, Michael A. J., Bountra, Chas, Wilkinson, Graeme F., Vaughan, Beverley, Leach, Andrew R., Dunham, Ian, Marsden, Brian D.

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

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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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