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1دورية أكاديمية
المؤلفون: Finton Sirockin, Nikolaus Stiefl
المصدر: CHIMIA, Vol 72, Iss 9 (2018)
مصطلحات موضوعية: Automated synthesis, Auto-updating learning systems, Machine learning, Chemistry, QD1-999
وصف الملف: electronic resource
Relation: https://www.chimia.ch/chimia/article/view/1493; https://doaj.org/toc/0009-4293; https://doaj.org/toc/2673-2424
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المؤلفون: Nello Mainolfi, Takeru Ehara, Rajeshri G. Karki, Karen Anderson, Aengus Mac Sweeney, Sha-Mei Liao, Upendra A. Argikar, Keith Jendza, Chun Zhang, James Powers, Daniel W. Klosowski, Maura Crowley, Toshio Kawanami, Jian Ding, Myriam April, Cornelia Forster, Michael Serrano-Wu, Michael Capparelli, Rrezarta Ramqaj, Catherine Solovay, Frederic Cumin, Thomas M. Smith, Luciana Ferrara, Wendy Lee, Debby Long, Melissa Prentiss, Andrea De Erkenez, Louis Yang, Fang Liu, Holger Sellner, Finton Sirockin, Eric Valeur, Paulus Erbel, Daniela Ostermeier, Paul Ramage, Bernd Gerhartz, Anna Schubart, Stefanie Flohr, Nathalie Gradoux, Roland Feifel, Barbara Vogg, Christian Wiesmann, Jürgen Maibaum, Jörg Eder, Richard Sedrani, Richard A. Harrison, Muneto Mogi, Bruce D. Jaffee, Christopher M. Adams
المصدر: Journal of Medicinal Chemistry. 63:5697-5722
مصطلحات موضوعية: Drug Discovery, Molecular Medicine
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المؤلفون: Peter Ertl, Grégori Gerebtzoff, Richard Lewis, Hagen Muenkler, Nadine Schneider, Finton Sirockin, Nikolaus Stiefl, Paolo Tosco
المصدر: Molecular informaticsReferences. 41(6)
مصطلحات موضوعية: Machine Learning, Structural Biology, Cheminformatics, Drug Design, Organic Chemistry, Drug Discovery, Molecular Medicine, Algorithms, Computer Science Applications
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المؤلفون: Finton Sirockin, Jean-Rémy Marchand, Bernard Pirard, Peter Ertl
مصطلحات موضوعية: Similarity (geometry), Computer science, Protein Conformation, Protein Data Bank (RCSB PDB), Ligands, 01 natural sciences, Machine Learning, Software, 0103 physical sciences, Drug Discovery, Physical and Theoretical Chemistry, Binding site, Binding Sites, 010304 chemical physics, business.industry, Proteins, Pattern recognition, Protein engineering, Ligand (biochemistry), Affinities, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Identification (information), Artificial intelligence, business, Protein Binding
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::8deeab0754b14f98a89069c2a66d4f77
https://doi.org/10.26434/chemrxiv.12806819.v3 -
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المؤلفون: Nikolaus Stiefl, Jean-Louis Reymond, Mahendra Awale, Finton Sirockin
المصدر: Journal of Chemical Information and Modeling. 59:1347-1356
مصطلحات موضوعية: Models, Molecular, Simplified molecular-input line-entry system, General Chemical Engineering, Molecular Conformation, Library and Information Sciences, Machine learning, computer.software_genre, 01 natural sciences, Long short term memory, Fragment (logic), 540 Chemistry, 0103 physical sciences, 010304 chemical physics, Artificial neural network, business.industry, Cheminformatics, General Chemistry, computer.file_format, chEMBL, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, Pharmaceutical Preparations, 570 Life sciences, biology, Neural Networks, Computer, Artificial intelligence, Transfer of learning, business, DrugBank, computer, Generative grammar
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6دورية أكاديمية
المؤلفون: Matthias Haffke, Dominique Fehlmann, Gabriele Rummel, Jacques Boivineau, Myriam Duckely, Nina Gommermann, Simona Cotesta, Finton Sirockin, Felix Freuler, Amanda Littlewood-Evans, Klemens Kau
المصدر: Nature, Nature. 574(7779):581-585
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المؤلفون: Peter Ertl, Bernard Pirard, Finton Sirockin, Jean-Rémy Marchand
مصطلحات موضوعية: Software suite, Source code, Database, business.industry, Computer science, media_common.quotation_subject, computer.software_genre, Tree (data structure), Identification (information), Software, Open source, Decomposition (computer science), MIT License, business, computer, media_common
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::2329e6bc86ee3e3bd54a3d5e65748bfe
https://doi.org/10.26434/chemrxiv.12806819.v1 -
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المؤلفون: Simone Schleeger, Stephanie C. Paulding, Lori Andrews, Ryann E. Swale, Frederic Villard, Christopher J. Farady, Holger Sellner, Kenji Namoto, Robert J. Moreau, Michael Robinson, Finton Sirockin, Christian Wiesmann, Joachim Loup, Kathrin Schipp, E. Valeur
المصدر: Bioorganic & Medicinal Chemistry Letters. 28:906-909
مصطلحات موضوعية: Models, Molecular, 0301 basic medicine, Macrocyclic Compounds, Rhinovirus, Stereochemistry, 030106 microbiology, Clinical Biochemistry, Molecular Conformation, Pharmaceutical Science, Microbial Sensitivity Tests, Cysteine Proteinase Inhibitors, Crystallography, X-Ray, medicine.disease_cause, Antiviral Agents, Biochemistry, Structure-Activity Relationship, Viral Proteins, 03 medical and health sciences, Solid-phase synthesis, Drug Discovery, Hydrolase, medicine, Humans, 3c protease, Molecular Biology, Dose-Response Relationship, Drug, Chemistry, Organic Chemistry, 3C Viral Proteases, Cysteine Endopeptidases, 030104 developmental biology, Drug Design, Molecular Medicine, Structure based
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المؤلفون: Mahendra Awale, Nikolaus Stiefl, Finton Sirockin, Jean-Louis Reymond
مصطلحات موضوعية: chemistry.chemical_compound, Virtual screening, Natural product, chemistry, Database, Molecular size, Computer science, Molecule, computer.software_genre, computer, Small molecule, Medicinal chemistry, Chemical space
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::321c4675efdc89bb660edc98e20f4863
https://doi.org/10.26434/chemrxiv.7770809 -
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