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1دورية أكاديمية
المؤلفون: Lea Seep, Anne Bonin, Katharina Meier, Holger Diedam, Andreas H. Göller
المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-22 (2021)
مصطلحات موضوعية: Conformer sampling, Molecular dynamics, Conformer ensemble, Information technology, T58.5-58.64, Chemistry, QD1-999
وصف الملف: electronic resource
Relation: https://doaj.org/toc/1758-2946
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2
المصدر: Journal of Computer-Aided Molecular Design. 37:129-145
مصطلحات موضوعية: Drug Discovery, Physical and Theoretical Chemistry, Computer Science Applications
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3
المؤلفون: Lara Kuhnke, Floriane Montanari, Mario Lobell, Sebastian Schneckener, Jörg Wichard, Alexander Hillisch, Andreas H. Göller, Antonius Ter Laak, Anne Bonin
المصدر: Drug Discovery Today. 25:1702-1709
مصطلحات موضوعية: 0301 basic medicine, Process (engineering), Computer science, In silico, Machine learning, computer.software_genre, Intestinal absorption, Machine Learning, 03 medical and health sciences, 0302 clinical medicine, Drug Discovery, Animals, Humans, Computer Simulation, Pharmacokinetics, Pharmacology, business.industry, Models, Theoretical, Variety (cybernetics), 030104 developmental biology, Intestinal Absorption, Pharmaceutical Preparations, 030220 oncology & carcinogenesis, Data quality, Deep neural networks, Artificial intelligence, business, computer
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4
المؤلفون: Katharina Meier, Andreas H. Göller, Holger Diedam, Anne Bonin, Lea Seep
المصدر: Journal of Cheminformatics, Vol 13, Iss 1, Pp 1-22 (2021)
Journal of Cheminformaticsمصطلحات موضوعية: Information technology, Molecular dynamics, Library and Information Sciences, 01 natural sciences, 03 medical and health sciences, Conformer sampling, 0103 physical sciences, Cluster (physics), Statistical physics, Physical and Theoretical Chemistry, QD1-999, Conformational isomerism, 030304 developmental biology, Physics, Quantitative Biology::Biomolecules, 0303 health sciences, Mahalanobis distance, 010304 chemical physics, Charge (physics), T58.5-58.64, Computer Graphics and Computer-Aided Design, Conformer ensemble, Computer Science Applications, Chemistry, Solvent models, Intramolecular force, Metric (mathematics), Research Article
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5
المؤلفون: Jens Niklas, Anne Bonin, Carlo Thiel, Rolf Gebhardt, Madlen Matz-Soja, Stefanie Mangin, Klaus Mauch, Stephanie Kopacz, Joachim Bucher, Ute Hofmann
المصدر: BMB Reports. 45:396-401
مصطلحات موضوعية: medicine.medical_specialty, Metabolite, Fatty Acids, Nonesterified, Biology, Biochemistry, chemistry.chemical_compound, Overnutrition, Metabolic flux analysis, Internal medicine, medicine, Animals, Humans, Molecular Biology, chemistry.chemical_classification, Fatty liver, Fatty acid, General Medicine, medicine.disease, Fatty Liver, Glutamine, Endocrinology, chemistry, Steatosis, Energy Metabolism, Flux (metabolism)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::b2f9477509b233112d41783c8e8625dd
https://doi.org/10.5483/bmbrep.2012.45.7.070