ChEMBL web services: streamlining access to drug discovery data and utilities
Davies, Mark, Nowotka, Michał, Papadatos, George, Dedman, Nathan, Gaulton, Anna, Atkinson, Francis, Bellis, Louisa, Overington, John P
Published in Nucleic acids research (01.07.2015)
Published in Nucleic acids research (01.07.2015)
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ChEMBL: towards direct deposition of bioassay data
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
Published in Nucleic acids research (08.01.2019)
Published in Nucleic acids research (08.01.2019)
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An open source chemical structure curation pipeline using RDKit
Bento, A. Patrícia, Hersey, Anne, Félix, Eloy, Landrum, Greg, Gaulton, Anna, Atkinson, Francis, Bellis, Louisa J., De Veij, Marleen, Leach, Andrew R.
Published in Journal of cheminformatics (01.09.2020)
Published in Journal of cheminformatics (01.09.2020)
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Comprehensive characterization of the Published Kinase Inhibitor Set
Elkins, Jonathan M, Fedele, Vita, Szklarz, Marta, Abdul Azeez, Kamal R, Salah, Eidarus, Mikolajczyk, Jowita, Romanov, Sergei, Sepetov, Nikolai, Huang, Xi-Ping, Roth, Bryan L, Al Haj Zen, Ayman, Fourches, Denis, Muratov, Eugene, Tropsha, Alex, Morris, Joel, Teicher, Beverly A, Kunkel, Mark, Polley, Eric, Lackey, Karen E, Atkinson, Francis L, Overington, John P, Bamborough, Paul, Müller, Susanne, Price, Daniel J, Willson, Timothy M, Drewry, David H, Knapp, Stefan, Zuercher, William J
Published in Nature biotechnology (01.01.2016)
Published in Nature biotechnology (01.01.2016)
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Discovery of potent and selective Spleen Tyrosine Kinase inhibitors for the topical treatment of inflammatory skin disease
Barker, Michael D., Liddle, John, Atkinson, Francis L., Wilson, David Matthew, Dickson, Marion C., Ramirez-Molina, Cesar, Lewis, Huw, Davis, Rob P., Somers, Donald O., Neu, Margarete, Jones, Emma, Watson, Robert
Published in Bioorganic & medicinal chemistry letters (15.11.2018)
Published in Bioorganic & medicinal chemistry letters (15.11.2018)
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myChEMBL: a virtual machine implementation of open data and cheminformatics tools
Ochoa, Rodrigo, Davies, Mark, Papadatos, George, Atkinson, Francis, Overington, John P
Published in Bioinformatics (15.01.2014)
Published in Bioinformatics (15.01.2014)
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A large-scale dataset of in vivo pharmacology assay results
Hunter, Fiona M I, L Atkinson, Francis, Bento, A Patrícia, Bosc, Nicolas, Gaulton, Anna, Hersey, Anne, Leach, Andrew R
Published in Scientific data (23.10.2018)
Published in Scientific data (23.10.2018)
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Network integration and modelling of dynamic drug responses at multi-omics levels
Selevsek, Nathalie, Caiment, Florian, Nudischer, Ramona, Gmuender, Hans, Agarkova, Irina, Atkinson, Francis L, Bachmann, Ivo, Baier, Vanessa, Barel, Gal, Bauer, Chris, Boerno, Stefan, Bosc, Nicolas, Clayton, Olivia, Cordes, Henrik, Deeb, Sally, Gotta, Stefano, Guye, Patrick, Hersey, Anne, Hunter, Fiona M I, Kunz, Laura, Lewalle, Alex, Lienhard, Matthias, Merken, Jort, Minguet, Jasmine, Oliveira, Bernardo, Pluess, Carla, Sarkans, Ugis, Schrooders, Yannick, Schuchhardt, Johannes, Smit, Ines, Thiel, Christoph, Timmermann, Bernd, Verheijen, Marcha, Wittenberger, Timo, Wolski, Witold, Zerck, Alexandra, Heymans, Stephane, Kuepfer, Lars, Roth, Adrian, Schlapbach, Ralph, Niederer, Steven, Herwig, Ralf, Kleinjans, Jos
Published in Communications biology (15.10.2020)
Published in Communications biology (15.10.2020)
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A Comparative Analysis of Drug-Induced Hepatotoxicity in Clinically Relevant Situations
Thiel, Christoph, Cordes, Henrik, Fabbri, Lorenzo, Aschmann, Hélène Eloise, Baier, Vanessa, Smit, Ines, Atkinson, Francis, Blank, Lars Mathias, Kuepfer, Lars
Published in PLoS computational biology (01.02.2017)
Published in PLoS computational biology (01.02.2017)
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Reply to “Missed opportunities in large scale comparison of QSAR and conformal prediction methods and their applications in drug discovery”
Bosc, Nicolas, Atkinson, Francis, Félix, Eloy, Gaulton, Anna, Hersey, Anne, Leach, Andrew R.
Published in Journal of cheminformatics (06.11.2019)
Published in Journal of cheminformatics (06.11.2019)
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Multi-omics HeCaToS dataset of repeated dose toxicity for cardiotoxic & hepatotoxic compounds
Verheijen, Marcha, Sarkans, Ugis, Wolski, Witold, Jennen, Danyel, Caiment, Florian, Kleinjans, Jos, Agarkova, Irina, Atkinson, Francis L., Bachmann, Ivo, Baier, Vanessa, Barel, Gal, Bauer, Chris, van den Beucken, Twan, Boerno, Stefan, Bosc, Nicolas, Carey, Conn, Castell, José V., Clayton, Olivia, Cordes, Henrik, Deeb, Sally, Gmuender, Hans, Gotta, Stefano, Guye, Patrick, Hersey, Anne, Herwig, Ralf, Heymans, Stephane, Hunt, Peter, Hunter, Fiona M. I., Hynes, James, Keun, Hector, Kouloura, Eirini, Kuepfer, Lars, Kunz, Laura, Lewalle, Alex, Lienhard, Matthias, Martínez-Sena, Teresa, Merken, Jort, Minguet, Jasmine, Nguyen, Nhan, Niederer, Steven, Nudischer, Ramona, Asensio, Juan Ochoteco, Oliveira, Bernardo, Panse, Christian, Pluess, Carla, Roth, Adrian B., Schlapbach, Ralph, Schrooders, Yannick, Schuchhardt, Johannes, Segall, Matthew, Selevsek, Nathalie, Sepulveda, Pilar, Smit, Ines, Thiel, Christoph, Timmermann, Bernd, Wittenberger, Timo, Zerck, Alexandra
Published in Scientific data (14.11.2022)
Published in Scientific data (14.11.2022)
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Discovery of GSK143, a highly potent, selective and orally efficacious spleen tyrosine kinase inhibitor
Liddle, John, Atkinson, Francis L., Barker, Michael D., Carter, Paul S., Curtis, Neil R., Davis, Rob P., Douault, Clement, Dickson, Marion C., Elwes, Dorothy, Garton, Neil S., Gray, Matthew, Hayhow, Thomas G., Hobbs, Clare I., Jones, Emma, Leach, Stuart, Leavens, Karen, Lewis, Huw D., McCleary, Scott, Neu, Margarete, Patel, Vipulkumar K., Preston, Alex G.S., Ramirez-Molina, Cesar, Shipley, Tracy J., Skone, Philip A., Smithers, Nick, Somers, Donald O., Walker, Ann L., Watson, Robert J., Weingarten, Gordon G.
Published in Bioorganic & medicinal chemistry letters (15.10.2011)
Published in Bioorganic & medicinal chemistry letters (15.10.2011)
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N-(3-Cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)amides as potent, selective, inhibitors of JNK2 and JNK3
Angell, Richard M., Atkinson, Francis L., Brown, Murray J., Chuang, Tsu Tshen, Christopher, John A., Cichy-Knight, Maria, Dunn, Allison K., Hightower, Kendra E., Malkakorpi, Susanna, Musgrave, James R., Neu, Margarete, Rowland, Paul, Shea, Robyn L., Smith, Jeffery L., Somers, Donald O., Thomas, Sonia A., Thompson, Gladstone, Wang, Ruolan
Published in Bioorganic & medicinal chemistry letters (01.03.2007)
Published in Bioorganic & medicinal chemistry letters (01.03.2007)
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Collation and data-mining of literature bioactivity data for drug discovery
Bellis, Louisa J, Akhtar, Ruth, Al-Lazikani, Bissan, Atkinson, Francis, Bento, A Patricia, Chambers, Jon, Davies, Mark, Gaulton, Anna, Hersey, Anne, Ikeda, Kazuyoshi, Krüger, Felix A, Light, Yvonne, McGlinchey, Shaun, Santos, Rita, Stauch, Benjamin, Overington, John P
Published in Biochemical Society transactions (01.10.2011)
Published in Biochemical Society transactions (01.10.2011)
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1-Aryl-3,4-dihydroisoquinoline inhibitors of JNK3
Christopher, John A., Atkinson, Francis L., Bax, Benjamin D., Brown, Murray J.B., Champigny, Aurélie C., Chuang, Tsu Tshen, Jones, Emma J., Mosley, Julie E., Musgrave, James R.
Published in Bioorganic & medicinal chemistry letters (15.04.2009)
Published in Bioorganic & medicinal chemistry letters (15.04.2009)
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MyChEMBL: A Virtual Platform for Distributing Cheminformatics Tools and Open Data
Davies, Mark, Nowotka, Michał, Papadatos, George, Atkinson, Francis, van Westen, Gerard, Dedman, Nathan, Ochoa, Rodrigo, Overington, John
Published in Challenges (Basel) (29.09.2014)
Published in Challenges (Basel) (29.09.2014)
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What has scripting ever done for us? The CSD Python application programming interface (API)
Sykes, Richard A., Johnson, Natalie T., Kingsbury, Christopher J., Harter, Jürgen, Maloney, Andrew G. P., Sugden, Isaac J., Ward, Suzanna C., Bruno, Ian J., Adcock, Stewart A., Wood, Peter A., McCabe, Patrick, Moldovan, Alexandru A., Atkinson, Francis, Giangreco, Ilenia, Cole, Jason C.
Published in Journal of applied crystallography (01.08.2024)
Published in Journal of applied crystallography (01.08.2024)
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