Adapting Deep Learning QSPR Models to Specific Drug Discovery Projects
Fluetsch, Andrin, Di Lascio, Elena, Gerebtzoff, Grégori, Rodríguez-Pérez, Raquel
Published in Molecular pharmaceutics (01.04.2024)
Published in Molecular pharmaceutics (01.04.2024)
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Journal Article
Chemical Reactivity Prediction: Current Methods and Different Application Areas
Ertl, Peter, Gerebtzoff, Grégori, Lewis, Richard, Muenkler, Hagen, Schneider, Nadine, Sirockin, Finton, Stiefl, Nikolaus, Tosco, Paolo
Published in Molecular informatics (01.06.2022)
Published in Molecular informatics (01.06.2022)
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Journal Article
Predicting In Vivo Compound Brain Penetration Using Multi-task Graph Neural Networks
Hamzic, Seid, Lewis, Richard, Desrayaud, Sandrine, Soylu, Cihan, Fortunato, Mike, Gerebtzoff, Grégori, Rodríguez-Pérez, Raquel
Published in Journal of chemical information and modeling (11.07.2022)
Published in Journal of chemical information and modeling (11.07.2022)
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Journal Article
Coexistence of passive and carrier-mediated processes in drug transport
Sugano, Kiyohiko, Kansy, Manfred, Artursson, Per, Avdeef, Alex, Bendels, Stefanie, Di, Li, Ecker, Gerhard F, Faller, Bernard, Fischer, Holger, Gerebtzoff, Grégori, Lennernaes, Hans, Senner, Frank
Published in Nature reviews. Drug discovery (01.08.2010)
Published in Nature reviews. Drug discovery (01.08.2010)
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Journal Article
DeepCt: Predicting Pharmacokinetic Concentration-Time Curves and Compartmental Models from Chemical Structure Using Deep Learning
Beckers, Maximilian, Yonchev, Dimitar, Desrayaud, Sandrine, Gerebtzoff, Grégori, Rodríguez-Pérez, Raquel
Published in Molecular pharmaceutics (06.11.2024)
Published in Molecular pharmaceutics (06.11.2024)
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Journal Article
Safety screening in early drug discovery: An optimized assay panel
Bendels, Stefanie, Bissantz, Caterina, Fasching, Bernhard, Gerebtzoff, Grégori, Guba, Wolfgang, Kansy, Manfred, Migeon, Jacques, Mohr, Susanne, Peters, Jens-Uwe, Tillier, Fabien, Wyler, René, Lerner, Christian, Kramer, Christian, Richter, Hans, Roberts, Sonia
Published in Journal of pharmacological and toxicological methods (01.09.2019)
Published in Journal of pharmacological and toxicological methods (01.09.2019)
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Journal Article
Can we discover pharmacological promiscuity early in the drug discovery process?
Peters, Jens-Uwe, Hert, Jérôme, Bissantz, Caterina, Hillebrecht, Alexander, Gerebtzoff, Grégori, Bendels, Stefanie, Tillier, Fabien, Migeon, Jacques, Fischer, Holger, Guba, Wolfgang, Kansy, Manfred
Published in Drug discovery today (01.04.2012)
Published in Drug discovery today (01.04.2012)
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Journal Article
Design and synthesis of novel imidazo[1,2-a]quinoxalines as PDE4 inhibitors
DELEUZE-MASQUBFA, Carine, GEREBTZOFF, Grégori, SUBRA, Guy, FABREGUETTES, Jean-Roch, OVENS, Annabel, CARRAZ, Maëlle, STRUB, Marie-Paule, BOMPART, Jacques, GEORGE, Pascal, BONNET, Pierre-Antoine
Published in Bioorganic & medicinal chemistry (01.03.2004)
Published in Bioorganic & medicinal chemistry (01.03.2004)
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Journal Article