Zobrazeno 1 - 10
of 2 153
pro vyhledávání: '"Ceulemans, H"'
Autor:
Ha SV; Janssen Pharmaceutica, N.V., a Johnson & Johnson company, 2340, Beerse, Belgium.; Department of Chemistry, Johannes Gutenberg University Mainz, Mainz, Germany., Jaensch S; Janssen Pharmaceutica, N.V., a Johnson & Johnson company, 2340, Beerse, Belgium. sjaensch@its.jnj.com., Freitas LGA; Janssen Pharmaceutica, N.V., a Johnson & Johnson company, 2340, Beerse, Belgium., Herman D; Janssen Pharmaceutica, N.V., a Johnson & Johnson company, 2340, Beerse, Belgium., Czodrowski P; Department of Chemistry, Johannes Gutenberg University Mainz, Mainz, Germany., Ceulemans H; Janssen Pharmaceutica, N.V., a Johnson & Johnson company, 2340, Beerse, Belgium.
Publikováno v:
Scientific reports [Sci Rep] 2024 Oct 17; Vol. 14 (1), pp. 24403. Date of Electronic Publication: 2024 Oct 17.
Autor:
Medrano Sandonas L; Department of Physics and Materials Science, University of Luxembourg, L-1511, Luxembourg City, Luxembourg. leonardo.medrano@tu-dresden.de.; Institute for Materials Science and Max Bergmann Center of Biomaterials, TU Dresden, 01062, Dresden, Germany. leonardo.medrano@tu-dresden.de., Van Rompaey D; Drug Discovery Data Sciences (D3S), Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium. dvanrom1@its.jnj.com., Fallani A; Department of Physics and Materials Science, University of Luxembourg, L-1511, Luxembourg City, Luxembourg.; Drug Discovery Data Sciences (D3S), Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium., Hilfiker M; Department of Physics and Materials Science, University of Luxembourg, L-1511, Luxembourg City, Luxembourg., Hahn D; Computational Chemistry, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium., Perez-Benito L; Computational Chemistry, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium., Verhoeven J; Drug Discovery Data Sciences (D3S), Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium., Tresadern G; Computational Chemistry, Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium., Kurt Wegner J; Drug Discovery Data Sciences (D3S), Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium.; Drug Discovery Data Sciences (D3S), Johnson & Johnson Innovative Medicine, 301 Binney Street, MA 02142, Cambridge, USA., Ceulemans H; Drug Discovery Data Sciences (D3S), Janssen Pharmaceutica NV, Turnhoutseweg 30, 2340, Beerse, Belgium., Tkatchenko A; Department of Physics and Materials Science, University of Luxembourg, L-1511, Luxembourg City, Luxembourg. alexandre.tkatchenko@uni.lu.
Publikováno v:
Scientific data [Sci Data] 2024 Jul 07; Vol. 11 (1), pp. 742. Date of Electronic Publication: 2024 Jul 07.
Autor:
Heyndrickx W; Janssen Pharmaceutica NV, Turnhoutseweg 30, Beerse 2340, Belgium., Mervin L; AstraZeneca R&D, Biomedical Campus, 1 Francis Crick Ave, Cambridge CB2 0SL, U.K., Morawietz T; Bayer Pharma AG, Global Drug Discovery, Chemical Research, Computational Chemistry, Aprather Weg 18 a, Wuppertal 42096, Germany., Sturm N; Novartis Institutes for BioMedical Research, Novartis Campus, Basel 4002, Switzerland., Friedrich L; Merck KGaA, Global Research & Development, Frankfurter Strasse 250, Darmstadt 64293, Germany., Zalewski A; Amgen Research (Munich) GmbH, Staffelseestraße 2, Munich 81477, Germany., Pentina A; Bayer AG, Machine Learning Research, Research & Development, Pharmaceuticals, Berlin 10117, Germany., Humbeck L; BI Medicinal Chemistry Department, Boehringer Ingelheim Pharma GmbH & Co. KG, Birkendorfer Str. 65, Biberach an der Riss 88397, Germany., Oldenhof M; KU Leuven, ESAT-STADIUS, Kasteelpark Arenberg 10, Heverlee 3001, Belgium., Niwayama R; Institut de recherches Servier, 125 chemin de ronde Croissy-sur-Seine, Île-de-France 78290, France., Schmidtke P; Discngine, Avenue Ledru Rollin 79, Paris 75012, France., Fechner N; Novartis Institutes for BioMedical Research, Novartis Campus, Basel 4002, Switzerland., Simm J; KU Leuven, ESAT-STADIUS, Kasteelpark Arenberg 10, Heverlee 3001, Belgium., Arany A; KU Leuven, ESAT-STADIUS, Kasteelpark Arenberg 10, Heverlee 3001, Belgium., Drizard N; Iktos, 65 rue de Prony, Paris 75017, France., Jabal R; Iktos, 65 rue de Prony, Paris 75017, France., Afanasyeva A; Modality Informatics Group, Digital Research Solutions, Advanced Informatics & Analytics, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba-shi, Ibaraki 305-8585, Japan., Loeb R; KU Leuven, ESAT-STADIUS, Kasteelpark Arenberg 10, Heverlee 3001, Belgium., Verma S; GlaxoSmithKline, Computational Sciences, Gunnels Wood Road Stevenage, Herts SG1 2NY, U.K., Harnqvist S; GlaxoSmithKline, Computational Sciences, Gunnels Wood Road Stevenage, Herts SG1 2NY, U.K., Holmes M; GlaxoSmithKline, Computational Sciences, Gunnels Wood Road Stevenage, Herts SG1 2NY, U.K., Pejo B; Budapest University of Technology and Economics, Department of Networked Systems and Services, Műegyetem rkp. 3, Budapest 1111, Hungary., Telenczuk M; Owkin, 12 Rue Martel, Paris 75010, France., Holway N; Novartis Institutes for BioMedical Research, Novartis Campus, Basel 4002, Switzerland., Dieckmann A; Bayer AG, API Production, Product Supply, Pharmaceuticals, Ernst-Schering-Straße 14, Bergkamen 59192, Germany., Rieke N; NVIDIA GmbH, Floessergasse 2, Munich 81369, Germany., Zumsande F; Amgen Research (Munich) GmbH, Staffelseestraße 2, Munich 81477, Germany., Clevert DA; Bayer AG, Machine Learning Research, Research & Development, Pharmaceuticals, Berlin 10117, Germany., Krug M; Merck KGaA, Global Research & Development, Frankfurter Strasse 250, Darmstadt 64293, Germany., Luscombe C; GlaxoSmithKline, Computational Sciences, Gunnels Wood Road Stevenage, Herts SG1 2NY, U.K., Green D; GlaxoSmithKline, Computational Sciences, Gunnels Wood Road Stevenage, Herts SG1 2NY, U.K., Ertl P; Novartis Institutes for BioMedical Research, Novartis Campus, Basel 4002, Switzerland., Antal P; Budapest University of Technology and Economics, Department of Measurement and Information Systems, Műegyetem rkp. 3, Budapest 1111, Hungary., Marcus D; GlaxoSmithKline, Computational Sciences, Gunnels Wood Road Stevenage, Herts SG1 2NY, U.K., Do Huu N; Iktos, 65 rue de Prony, Paris 75017, France., Fuji H; Modality Informatics Group, Digital Research Solutions, Advanced Informatics & Analytics, Astellas Pharma Inc., 21 Miyukigaoka, Tsukuba-shi, Ibaraki 305-8585, Japan., Pickett S; GlaxoSmithKline, Computational Sciences, Gunnels Wood Road Stevenage, Herts SG1 2NY, U.K., Acs G; Budapest University of Technology and Economics, Department of Networked Systems and Services, Műegyetem rkp. 3, Budapest 1111, Hungary., Boniface E; Substra Foundation - Labelia Labs, 4 rue Voltaire, Nantes 44000, France., Beck B; BI Medicinal Chemistry Department, Boehringer Ingelheim Pharma GmbH & Co. KG, Birkendorfer Str. 65, Biberach an der Riss 88397, Germany., Sun Y; Amgen Research, 1 Amgen Center Drive, Thousand Oaks, California 92130, United States., Gohier A; Institut de recherches Servier, 125 chemin de ronde Croissy-sur-Seine, Île-de-France 78290, France., Rippmann F; Merck KGaA, Global Research & Development, Frankfurter Strasse 250, Darmstadt 64293, Germany., Engkvist O; AstraZeneca, Molecular AI, Discovery Sciences, R&D, Pepparedsleden 1, Mölndal 431 50, Sweden., Göller AH; Bayer Pharma AG, Global Drug Discovery, Chemical Research, Computational Chemistry, Aprather Weg 18 a, Wuppertal 42096, Germany., Moreau Y; KU Leuven, ESAT-STADIUS, Kasteelpark Arenberg 10, Heverlee 3001, Belgium., Galtier MN; Owkin, 4 Rue Voltaire, Nantes 44000, France., Schuffenhauer A; Novartis Institutes for BioMedical Research, Novartis Campus, Basel 4002, Switzerland., Ceulemans H; Janssen Pharmaceutica NV, Turnhoutseweg 30, Beerse 2340, Belgium.
Publikováno v:
Journal of chemical information and modeling [J Chem Inf Model] 2024 Apr 08; Vol. 64 (7), pp. 2331-2344. Date of Electronic Publication: 2023 Aug 29.
Autor:
Oldenhof, M, Acs, G, Pejo, B, Schuffenhauer, A, Holway, N, Sturm, N, Dieckmann, A, Fortmeier, O, Boniface, E, Mayer, C, Gohier, A, Schmidtke, P, Niwayama, R, Kopecky, D, Mervin, L, Rathi, PC, Friedrich, L, Formanek, A, Antal, P, Rahaman, J, Zalewski, A, Heyndrickx, W, Oluoch, E, Stossel, M, Vanco, M, Endico, D, Gelus, F, de Boisfosse, T, Darbier, A, Nicollet, A, Blottiere, M, Telenczuk, M, Nguyen, VT, Martinez, T, Boillet, C, Moutet, K, Picosson, A, Gasser, A, Djafar, I, Simon, A, Arany, Ádám, Simm, J, Moreau, Yves, Engkvist, O, Ceulemans, H, Marini, C, Galtier, M
To apply federated learning to drug discovery we developed a novel platform in the context of European Innovative Medicines Initiative (IMI) project MELLODDY (grant n{\deg}831472), which was comprised of 10 pharmaceutical companies, academic research
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_dedup___::509aaedc6517aee743f426b4cee5cd7d
http://arxiv.org/abs/2210.08871
http://arxiv.org/abs/2210.08871
Autor:
Moein M; Department of Computer Science, Aalto University, Konemiehentie 2, 02150 Espoo, Finland., Heinonen M; Department of Computer Science, Aalto University, Konemiehentie 2, 02150 Espoo, Finland., Mesens N; Predictive, Investigative and Translational Toxicology, PSTS, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, 2340 Beerse, Belgium., Chamanza R; Pathology, PSTS, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, 2340 Beerse, Belgium., Amuzie C; Johnson & Johnson Innovation-JLABS, 661 University Avenue, CA014 ON Toronto, Canada., Will Y; Predictive, Investigative and Translational Toxicology, PSTS, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, 3210 Merryfield Row, San Diego, California 92121, United States., Ceulemans H; In-Silico Discovery, Janssen Pharmaceutica, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, 2340 Beerse, Belgium., Kaski S; Department of Computer Science, Aalto University, Konemiehentie 2, 02150 Espoo, Finland., Herman D; In-Silico Discovery, Janssen Pharmaceutica, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, 2340 Beerse, Belgium.
Publikováno v:
Chemical research in toxicology [Chem Res Toxicol] 2023 Aug 21; Vol. 36 (8), pp. 1238-1247. Date of Electronic Publication: 2023 Aug 09.
Autor:
Herman D; In-Silico Discovery, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Kańduła MM; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Freitas LGA; In-Silico Discovery, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., van Dongen C; Charles River Laboratories, Turnhoutseweg 30, B-2340 Beerse, Belgium., Le Van T; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Mesens N; Predictive, Investigative and Translational Toxicology, PSTS, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Jaensch S; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Gustin E; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Micholt L; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Lardeau CH; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Varsakelis C; In-Silico Discovery, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Reumers J; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Zoffmann S; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Will Y; Predictive, Investigative and Translational Toxicology, PSTS, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Peeters PJ; Discovery Technology and Molecular Pharmacology, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium., Ceulemans H; In-Silico Discovery, Janssen Research & Development, Pharmaceutical Companies of Johnson & Johnson, Beerse B-2340, Belgium.
Publikováno v:
Chemical research in toxicology [Chem Res Toxicol] 2023 Jul 17; Vol. 36 (7), pp. 1028-1036. Date of Electronic Publication: 2023 Jun 16.
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Autor:
Lin A; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg4, Blaise Pascal str., 67081, Strasbourg, France., Dyubankova N; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Madzhidov TI; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Nugmanov RI; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Verhoeven J; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Gimadiev TR; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10 Sapporo, Kita-ku, 001-0021, Sapporo, Japan., Afonina VA; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Ibragimova Z; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Rakhimbekova A; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Sidorov P; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10 Sapporo, Kita-ku, 001-0021, Sapporo, Japan., Gedich A; Arcadia Inc., 28 k2, Bolshoy Sampsonievskiy pr., St. Petersburg, 194044, Russia., Suleymanov R; Arcadia Inc., 28 k2, Bolshoy Sampsonievskiy pr., St. Petersburg, 194044, Russia., Mukhametgaleev R; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Wegner J; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Ceulemans H; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Varnek A; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg4, Blaise Pascal str., 67081, Strasbourg, France.; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10 Sapporo, Kita-ku, 001-0021, Sapporo, Japan.
Publikováno v:
Molecular informatics [Mol Inform] 2022 Apr; Vol. 41 (4), pp. e2100138. Date of Electronic Publication: 2021 Nov 02.
Autor:
Gimadiev TR; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021, Sapporo, Japan., Lin A; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 4, Blaise Pascal str., 67081, Strasbourg, France., Afonina VA; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Batyrshin D; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Nugmanov RI; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Akhmetshin T; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 4, Blaise Pascal str., 67081, Strasbourg, France.; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Sidorov P; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021, Sapporo, Japan., Duybankova N; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Verhoeven J; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Wegner J; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Ceulemans H; Janssen Pharmaceutica, 30, Turnhoutseweg str., 2340, Beerse, Belgium., Gedich A; Arcadia Inc., Bol'shoy Sampsoniyevskiy Prospekt, 28 κopпyc 2, 194044, St Petersburg, Russia., Madzhidov TI; Laboratory of Chemoinformatics and Molecular Modeling, Butlerov Institute of Chemistry, Kazan Federal University, 18, Kremlyovskaya str., 420008, Kazan, Russia., Varnek A; Institute for Chemical Reaction Design and Discovery (WPI-ICReDD), Hokkaido University, Kita 21 Nishi 10, Kita-ku, 001-0021, Sapporo, Japan.; Laboratory of Chemoinformatics, UMR 7140 CNRS, University of Strasbourg, 4, Blaise Pascal str., 67081, Strasbourg, France.
Publikováno v:
Molecular informatics [Mol Inform] 2021 Dec; Vol. 40 (12), pp. e2100119. Date of Electronic Publication: 2021 Aug 24.
Autor:
Kumar K; Janssen Research & Development, Discovery Chemistry, Discovery Sciences, Spring House, PA 19477, USA., Chupakhin V; Janssen Research & Development, High Dimensional Biology & Discovery Data Sciences, Discovery Sciences, Spring House, PA 19477, USA., Vos A; Janssen Research & Development, Discovery Chemistry, Discovery Sciences, Beerse, 2340, Belgium., Morrison D; Janssen Research & Development, Drug Metabolism & Pharmacokinetics, Discovery Sciences, Beerse, 2340, Belgium., Rassokhin D; Johnson & Johnson Business Technology, Janssen Research & Development, Spring House, PA 19477, USA., Dellwo MJ; Johnson & Johnson Business Technology, Janssen Research & Development, Spring House, PA 19477, USA., McCormick K; Johnson & Johnson Business Technology, Janssen Research & Development, Spring House, PA 19477, USA., Paternoster E; Johnson & Johnson Business Technology, Janssen Research & Development, Spring House, PA 19477, USA., Ceulemans H; Janssen Research & Development, High Dimensional Biology & Discovery Data Sciences, Discovery Sciences, Beerse, 2340, Belgium., DesJarlais RL; Janssen Research & Development, Discovery Chemistry, Discovery Sciences, Spring House, PA 19477, USA.
Publikováno v:
Future medicinal chemistry [Future Med Chem] 2021 Oct; Vol. 13 (19), pp. 1639-1654. Date of Electronic Publication: 2021 Sep 16.