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1دورية أكاديمية
المؤلفون: Susanne Sauer, Hans Matter, Gerhard Hessler, Christoph Grebner
المصدر: Frontiers in Chemistry, Vol 10 (2022)
مصطلحات موضوعية: artificial intelligence, drug design, structure-based design, docking, scoring functions, machine learning, Chemistry, QD1-999
وصف الملف: electronic resource
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المؤلفون: Friedemann Schmidt, Christoph Grebner, Daniel Kofink, Jan Wenzel, Gerhard Hessler, Hans Matter
المصدر: ChemMedChem. 16:3772-3786
مصطلحات موضوعية: Computer science, Stability (learning theory), Machine learning, computer.software_genre, Biochemistry, Structure-Activity Relationship, Deep Learning, Drug Discovery, Cytochrome P-450 CYP3A, Humans, General Pharmacology, Toxicology and Pharmaceutics, Representation (mathematics), Interpretability, Pharmacology, Dose-Response Relationship, Drug, Molecular Structure, Artificial neural network, business.industry, Drug discovery, Organic Chemistry, Multilayer perceptron, Factor Xa, Key (cryptography), Cytochrome P-450 CYP3A Inhibitors, Molecular Medicine, Graph (abstract data type), Artificial intelligence, business, computer, Factor Xa Inhibitors
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المؤلفون: Tobias Harren, Hans Matter, Gerhard Hessler, Matthias Rarey, Christoph Grebner
المصدر: Journal of chemical information and modeling. 62(3)
مصطلحات موضوعية: Structure-Activity Relationship, Artificial Intelligence, General Chemical Engineering, Drug Design, Computer Simulation, General Chemistry, Neural Networks, Computer, Library and Information Sciences, Computer Science Applications
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المؤلفون: Alleyn T. Plowright, Hans Matter, Gerhard Hessler, Christoph Grebner
المصدر: Journal of Medicinal Chemistry. 63:8809-8823
مصطلحات موضوعية: Quantitative structure–activity relationship, Property (programming), Chemistry, Pharmaceutical, media_common.quotation_subject, Datasets as Topic, Machine learning, computer.software_genre, 01 natural sciences, 03 medical and health sciences, Drug Discovery, Reinforcement learning, Organic Chemicals, Function (engineering), 030304 developmental biology, media_common, 0303 health sciences, Artificial neural network, business.industry, Chemistry, Chemical space, 0104 chemical sciences, 010404 medicinal & biomolecular chemistry, Workflow, Drug Design, Molecular Medicine, Neural Networks, Computer, Artificial intelligence, business, computer, Databases, Chemical, Factor Xa Inhibitors
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المؤلفون: Gerhard Hessler, Christoph Grebner, Hans Matter
المصدر: Target Discovery and Validation
مصطلحات موضوعية: Computer science, business.industry, Phenotypic screening, Inference, Artificial intelligence, Machine learning, computer.software_genre, business, computer
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::775095aff31dd4659d26e56b694489ba
https://doi.org/10.1002/9783527818242.ch10 -
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المؤلفون: Christian Tyrchan, Robert Soliva, Martí Municoy, Oriol Gracia Carmona, Martin J. Packer, Daniel Soler, Joan Gilabert, Victor Guallar, Anders Hogner, Samantha Jayne Hughes, Christoph Grebner, Daniel Lecina
المصدر: Journal of Chemical Theory and Computation. 15:6243-6253
مصطلحات موضوعية: 010304 chemical physics, Markov chain, Computer science, Monte Carlo method, Proteins, Energy landscape, Sampling (statistics), Ligands, 01 natural sciences, Markov Chains, Computer Science Applications, Ranking, Drug Design, 0103 physical sciences, Convergence (routing), Computer-aided, Thermodynamics, Physical and Theoretical Chemistry, Monte Carlo Method, Algorithm, Algorithms, Monte Carlo algorithm, Protein Binding
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المؤلفون: Christoph Grebner, Gerhard Hessler, Hans Matter
المصدر: Artificial Intelligence in Drug Design ISBN: 9781071617861
مصطلحات موضوعية: Identification (information), Lead (geology), Research groups, Property (programming), business.industry, Computer science, Artificial intelligence, Scaffold hopping, business, Design methods, Chemical space
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::06d3f1ab5e683ed791d279d17eccf199
https://doi.org/10.1007/978-1-0716-1787-8_15 -
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المؤلفون: Christoph, Grebner, Hans, Matter, Gerhard, Hessler
المصدر: Methods in molecular biology (Clifton, N.J.). 2390
مصطلحات موضوعية: Artificial Intelligence
URL الوصول: https://explore.openaire.eu/search/publication?articleId=pmid________::83aff5625f58a27018dadf96d08be145
https://pubmed.ncbi.nlm.nih.gov/34731477 -
10
المؤلفون: Anthony Nicholls, José Batista, Andrew Shewmaker, Jens Sadowski, Christoph Grebner, Erik Malmerberg
المصدر: Journal of chemical information and modeling. 60(9)
مصطلحات موضوعية: Virtual screening, Information retrieval, 010304 chemical physics, Computer science, business.industry, General Chemical Engineering, Nearest neighbor search, Cloud computing, General Chemistry, Library and Information Sciences, Cloud Computing, Ligands, 01 natural sciences, 0104 chemical sciences, Computer Science Applications, 010404 medicinal & biomolecular chemistry, ComputingMethodologies_PATTERNRECOGNITION, 0103 physical sciences, Computer-Aided Design, business