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 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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Open Targets: a platform for therapeutic target identification and validation von Koscielny, Gautier, An, Peter, Carvalho-Silva, Denise, Cham, Jennifer A, Fumis, Luca, Gasparyan, Rippa, Hasan, Samiul, Karamanis, Nikiforos, Maguire, Michael, Papa, Eliseo, Pierleoni, Andrea, Pignatelli, Miguel, Platt, Theo, Rowland, Francis, Wankar, Priyanka, Bento, A Patrícia, Burdett, Tony, Fabregat, Antonio, Forbes, Simon, Gaulton, Anna, Gonzalez, Cristina Yenyxe, Hermjakob, Henning, Hersey, Anne, Jupe, Steven, Kafkas, Şenay, Keays, Maria, Leroy, Catherine, Lopez, Francisco-Javier, Magarinos, Maria Paula, Malone, James, McEntyre, Johanna, Munoz-Pomer Fuentes, Alfonso, O'Donovan, Claire, Papatheodorou, Irene, Parkinson, Helen, Palka, Barbara, Paschall, Justin, Petryszak, Robert, Pratanwanich, Naruemon, Sarntivijal, Sirarat, Saunders, Gary, Sidiropoulos, Konstantinos, Smith, Thomas, Sondka, Zbyslaw, Stegle, Oliver, Tang, Y Amy, Turner, Edward, Vaughan, Brendan, Vrousgou, Olga, Watkins, Xavier, Martin, Maria-Jesus, Sanseau, Philippe, Vamathevan, Jessica, Birney, Ewan, Barrett, Jeffrey, Dunham, Ian

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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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Unexplored therapeutic opportunities in the human genome von Oprea, Tudor I., Bologa, Cristian G., Brunak, Søren, Campbell, Allen, Gan, Gregory N., Gaulton, Anna, Gomez, Shawn M., Guha, Rajarshi, Hersey, Anne, Holmes, Jayme, Jadhav, Ajit, Jensen, Lars Juhl, Johnson, Gary L., Karlson, Anneli, Leach, Andrew R., Ma'ayan, Avi, Malovannaya, Anna, Mani, Subramani, Mathias, Stephen L., McManus, Michael T., Meehan, Terrence F., von Mering, Christian, Muthas, Daniel, Nguyen, Dac-Trung, Overington, John P., Papadatos, George, Qin, Jun, Reich, Christian, Roth, Bryan L., Schürer, Stephan C., Simeonov, Anton, Sklar, Larry A., Southall, Noel, Tomita, Susumu, Tudose, Ilinca, Ursu, Oleg, Vidović, Dušica, Waller, Anna, Westergaard, David, Yang, Jeremy J., Zahoránszky-Köhalmi, Gergely

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Activity, assay and target data curation and quality in the ChEMBL database von Papadatos, George, Gaulton, Anna, Hersey, Anne, Overington, John P.

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Pharos: Collating protein information to shed light on the druggable genome von Nguyen, Dac-Trung, Mathias, Stephen, Bologa, Cristian, Brunak, Soren, Fernandez, Nicolas, Gaulton, Anna, Hersey, Anne, Holmes, Jayme, Jensen, Lars Juhl, Karlsson, Anneli, Liu, Guixia, Ma'ayan, Avi, Mandava, Geetha, Mani, Subramani, Mehta, Saurabh, Overington, John, Patel, Juhee, Rouillard, Andrew D, Schürer, Stephan, Sheils, Timothy, Simeonov, Anton, Sklar, Larry A, Southall, Noel, Ursu, Oleg, Vidovic, Dusica, Waller, Anna, Yang, Jeremy, Jadhav, Ajit, Oprea, Tudor I, Guha, Rajarshi

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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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Rate-limited steps of human oral absorption and QSAR studies von ZHAO, Yuan H, ABRAHAM, Michael H, LE, Joelle, HERSEY, Anne, LUSCOMBE, Chris N, BECK, Gordon, SHERBORNE, Brad, COOPER, Ian

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Diffusion coefficients in ethanol and in water at 298K: Linear free energy relationships von Hills, Elizabeth E, Abraham, Michael H, Hersey, Anne, Bevan, Chris D

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Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery” von Bosc, Nicolas, Atkinson, Francis, Félix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.

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Correlation and prediction of a large blood–brain distribution data set—an LFER study von Platts, James A., Abraham, Michael H., Zhao, Yuan H., Hersey, Anne, Ijaz, Luke, Butina, Darko

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Annotating Human P-Glycoprotein Bioassay Data von Zdrazil, Barbara, Pinto, Marta, Vasanthanathan, Poongavanam, Williams, Antony J., Balderud, Linda Zander, Engkvist, Ola, Chichester, Christine, Hersey, Anne, Overington, John P., Ecker, Gerhard F.

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ChEMBL: a large-scale bioactivity database for drug discovery von Gaulton, Anna, Bellis, Louisa J., Bento, A. Patricia, Chambers, Jon, Davies, Mark, Hersey, Anne, Light, Yvonne, McGlinchey, Shaun, Michalovich, David, Al-Lazikani, Bissan, Overington, John P.

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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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The ChEMBL bioactivity database: an update von Bento, A Patrícia, Gaulton, Anna, Hersey, Anne, Bellis, Louisa J, Chambers, Jon, Davies, Mark, Krüger, Felix A, Light, Yvonne, Mak, Lora, McGlinchey, Shaun, Nowotka, Michal, Papadatos, George, Santos, Rita, Overington, John P

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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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A large-scale crop protection bioassay data set von Gaulton, Anna, Kale, Namrata, van Westen, Gerard J. P., Bellis, Louisa J., Bento, A. Patrícia, Davies, Mark, Hersey, Anne, Papadatos, George, Forster, Mark, Wege, Philip, Overington, John P.

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SureChEMBL: a large-scale, chemically annotated patent document database von Papadatos, George, Davies, Mark, Dedman, Nathan, Chambers, Jon, Gaulton, Anna, Siddle, James, Koks, Richard, Irvine, Sean A, Pettersson, Joe, Goncharoff, Nicko, Hersey, Anne, Overington, John P

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Estimation of Molecular Linear Free Energy Relation Descriptors Using a Group Contribution Approach von Platts, James A, Butina, Darko, Abraham, Michael H, Hersey, Anne

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