Zobrazeno 1 - 10 of 264 pro vyhledávání: '"Grebner C"'
1
Akademický článek
Task-Similarity is a Crucial Factor for Few-Shot Meta-Learning of Structure-Activity Relationships.
Autor: Kötter A; R&D, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, 65926, Frankfurt am Main, Germany., Allenspach S; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland., Grebner C; R&D, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, 65926, Frankfurt am Main, Germany., Matter H; R&D, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, 65926, Frankfurt am Main, Germany., Hiss JA; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland., Schneider G; Department of Chemistry and Applied Biosciences, ETH Zurich, Vladimir-Prelog-Weg 4, 8093, Zurich, Switzerland., Hessler G; R&D, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, 65926, Frankfurt am Main, Germany.
Publikováno v: Chembiochem : a European journal of chemical biology [Chembiochem] 2024 Oct 01; Vol. 25 (19), pp. e202400095. Date of Electronic Publication: 2024 Jun 18.
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2
Akademický článek
Integrating Reaction Schemes, Reagent Databases, and Virtual Libraries into Fragment-Based Design by Reinforcement Learning.
Autor: Sauer S; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, 65926 Frankfurt am Main, Germany., Matter H; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, 65926 Frankfurt am Main, Germany., Hessler G; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, 65926 Frankfurt am Main, Germany., Grebner C; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, 65926 Frankfurt am Main, Germany.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2023 Sep 25; Vol. 63 (18), pp. 5709-5726. Date of Electronic Publication: 2023 Sep 05.
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3
Akademický článek
Artificial Intelligence in Compound Design.
Autor: Grebner C; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Frankfurt am Main, Germany., Matter H; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Frankfurt am Main, Germany., Hessler G; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Frankfurt am Main, Germany. Gerhard.Hessler@sanofi.com.
Publikováno v: Methods in molecular biology (Clifton, N.J.) [Methods Mol Biol] 2022; Vol. 2390, pp. 349-382.
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4
Akademický článek
Impact of Applicability Domains to Generative Artificial Intelligence.
Autor: Langevin M; PASTEUR, Département de Chimie, École Normale Supérieure, PSL University, Sorbonne Université, CNRS, 75005 Paris, France.; Molecular Design Sciences-Integrated Drug Discovery, R&D, Sanofi, 94400 Vitry-sur-Seine, France., Grebner C; Molecular Design Sciences-Integrated Drug Discovery, R&D, Sanofi, 65929 Frankfurt-am-Main, Germany., Güssregen S; Molecular Design Sciences-Integrated Drug Discovery, R&D, Sanofi, 65929 Frankfurt-am-Main, Germany., Sauer S; Molecular Design Sciences-Integrated Drug Discovery, R&D, Sanofi, 65929 Frankfurt-am-Main, Germany., Li Y; Molecular Design Sciences-Integrated Drug Discovery, R&D, Sanofi, Waltham, Massachusetts 02451, United States., Matter H; Molecular Design Sciences-Integrated Drug Discovery, R&D, Sanofi, 65929 Frankfurt-am-Main, Germany., Bianciotto M; Molecular Design Sciences-Integrated Drug Discovery, R&D, Sanofi, 94400 Vitry-sur-Seine, France.
Publikováno v: ACS omega [ACS Omega] 2023 Jun 12; Vol. 8 (25), pp. 23148-23167. Date of Electronic Publication: 2023 Jun 12 (Print Publication: 2023).
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5
Akademický článek
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6
Akademický článek
Optimizing interactions to protein binding sites by integrating docking-scoring strategies into generative AI methods.
Autor: Sauer S; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi, Frankfurt, Germany., Matter H; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi, Frankfurt, Germany., Hessler G; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi, Frankfurt, Germany., Grebner C; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi, Frankfurt, Germany.
Publikováno v: Frontiers in chemistry [Front Chem] 2022 Oct 19; Vol. 10, pp. 1012507. Date of Electronic Publication: 2022 Oct 19 (Print Publication: 2022).
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7
Akademický článek
Interpretation of Structure-Activity Relationships in Real-World Drug Design Data Sets Using Explainable Artificial Intelligence.
Autor: Harren T; Universität Hamburg, ZBH - Center for Bioinformatics, Bundesstraße 43, 20146 Hamburg, Germany., Matter H; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, D-65926 Frankfurt am Main, Germany., Hessler G; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, D-65926 Frankfurt am Main, Germany., Rarey M; Universität Hamburg, ZBH - Center for Bioinformatics, Bundesstraße 43, 20146 Hamburg, Germany., Grebner C; Synthetic Molecular Design, Integrated Drug Discovery, Sanofi-Aventis Deutschland GmbH, Industriepark Höchst, D-65926 Frankfurt am Main, Germany.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2022 Feb 14; Vol. 62 (3), pp. 447-462. Date of Electronic Publication: 2022 Jan 26.
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8
Akademický článek
Application of Deep Neural Network Models in Drug Discovery Programs.
Autor: Grebner C; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Industriepark Höchst, 65926, Frankfurt am Main, Germany., Matter H; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Industriepark Höchst, 65926, Frankfurt am Main, Germany., Kofink D; Sanofi-Aventis France SA, R&D, Digital & Data Science, AI and Deep Analytics, 1 Avenue Pierre Brossolette, 91380, Chilly-Mazarin, France., Wenzel J; Sanofi-Aventis Deutschland GmbH, R&D, Preclinical Safety, Industriepark Höchst, 65926, Frankfurt am Main, Germany., Schmidt F; Sanofi-Aventis Deutschland GmbH, R&D, Preclinical Safety, Industriepark Höchst, 65926, Frankfurt am Main, Germany., Hessler G; Sanofi-Aventis Deutschland GmbH, R&D, Integrated Drug Discovery, Industriepark Höchst, 65926, Frankfurt am Main, Germany.
Publikováno v: ChemMedChem [ChemMedChem] 2021 Dec 14; Vol. 16 (24), pp. 3772-3786. Date of Electronic Publication: 2021 Oct 18.
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9
Akademický článek
Bitter peptide prediction using graph neural networks.
Autor: Srivastava, Prashant1 (AUTHOR), Steuer, Alexandra2,3 (AUTHOR), Ferri, Francesco2,3 (AUTHOR), Nicoli, Alessandro2,3 (AUTHOR), Schultz, Kristian1 (AUTHOR), Bej, Saptarshi4 (AUTHOR), Di Pizio, Antonella2,3 (AUTHOR) a.dipizio.leibniz-lsb@tum.de, Wolkenhauer, Olaf1,2 (AUTHOR) olaf.wolkenhauer@uni-rostock.de
Publikováno v: Journal of Cheminformatics. 10/7/2024, Vol. 16 Issue 1, p1-13. 13p.
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10
Akademický článek
Virtual Screening in the Cloud: How Big Is Big Enough?
Autor: Grebner C; Hit Discovery, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, SE-43183 Gothenburg, Sweden., Malmerberg E; Hit Discovery, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, SE-43183 Gothenburg, Sweden., Shewmaker A; OpenEye Scientific Software, Inc., 9 Bisbee Court Suite D, Santa Fe, New Mexico 87508, United States., Batista J; OpenEye Scientific Software, Inc., 9 Bisbee Court Suite D, Santa Fe, New Mexico 87508, United States., Nicholls A; OpenEye Scientific Software, Inc., 9 Bisbee Court Suite D, Santa Fe, New Mexico 87508, United States., Sadowski J; Hit Discovery, Discovery Sciences, BioPharmaceuticals R&D, AstraZeneca, SE-43183 Gothenburg, Sweden.
Publikováno v: Journal of chemical information and modeling [J Chem Inf Model] 2020 Sep 28; Vol. 60 (9), pp. 4274-4282. Date of Electronic Publication: 2019 Nov 14.
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