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المؤلفون: Suzanne Ackloo, Albert A. Antolin, Jose Manuel Bartolome, Hartmut Beck, Alex Bullock, Ulrich A. K. Betz, Jark Böttcher, Peter J. Brown, Menorca Chaturvedi, Alisa Crisp, Danette Daniels, Jan Dreher, Kristina Edfeldt, Aled M. Edwards, Ursula Egner, Jon Elkins, Christian Fischer, Tine Glendorf, Steven Goldberg, Ingo V. Hartung, Alexander Hillisch, Evert Homan, Stefan Knapp, Markus Köster, Oliver Krämer, Josep Llaveria, Uta Lessel, Sven Lindemann, Lars Linderoth, Hisanori Matsui, Maurice Michel, Florian Montel, Anke Mueller-Fahrnow, Susanne Müller, Dafydd R. Owen, Kumar Singh Saikatendu, Vijayaratnam Santhakumar, Wendy Sanderson, Cora Scholten, Matthieu Schapira, Sujata Sharma, Brock Shireman, Michael Sundström, Matthew H. Todd, Claudia Tredup, Jennifer Venable, Timothy M. Willson, Cheryl H. Arrowsmith
المصدر: RSC Medicinal Chemistry.
مصطلحات موضوعية: Pharmacology, Organic Chemistry, Drug Discovery, Pharmaceutical Science, Molecular Medicine, Biochemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::3307d439e596fca276308b7255fe64f6
https://doi.org/10.1039/d2md00441k -
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المؤلفون: Roland Pfau, Doris Riether, Marco Ferrara, Niklas Heine, Esther Schmidt, Uta Lessel, Laura Carrettoni, Chiara Marelli
المصدر: Journal of chemical information and modeling. 61(12)
مصطلحات موضوعية: Scaffold, Orexins, Chemistry, General Chemical Engineering, Suvorexant, Antagonist, General Chemistry, Library and Information Sciences, Highly selective, Computer Science Applications, Orexin, Orexin Receptors, OX2 RECEPTOR, Structure based, Receptor, Neuroscience
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المؤلفون: Benjamin G. Perry, Rommie E. Amaro, Claudia R. Gordijo, Cora Scholten, Andrew R. Leach, Alexander Hillisch, Kristina Edfeldt, Johanna M. Jansen, Uta Lessel, Gerhard F. Ecker, Rima Al-awar, Matthieu Schapira, Daniel Kuhn, Masoud Vedadi, John D. Chodera, Suzanne Ackloo, Ian Dunham, Robert A. Batey, Wendy D. Cornell, Ingo Muegge, Ulrich A. K. Betz, Hatylas Azevedo, Cristian Bologa, Yoshua Bengio, Kumar Singh Saikatendu, Timothy M. Willson, Aled M. Edwards, Vijayaratnam Santhakumar, John Moult, Alpha A. Lee, Patrick Riley, Michael K. Gilson, Matthew H. Todd, Gerhard Hessler, Cheryl H. Arrowsmith, Andrea Volkamer, Tudor I. Oprea, Anders Hogner, John J. Irwin
مصطلحات موضوعية: Public–private partnership, Open science, Development (topology), Computer science, Drug discovery, Critical assessment, Relevance (information retrieval), Benchmarking, Cache, Data science
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::1e23031ffc540b08feca94dc5f23b802
https://doi.org/10.33774/chemrxiv-2021-rzq4n -
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المؤلفون: Suzanne Ackloo, Rima Al-awar, Rommie E. Amaro, Cheryl H. Arrowsmith, Hatylas Azevedo, Robert A. Batey, Yoshua Bengio, Ulrich A.K. Betz, Cristian G. Bologa, John D. Chodera, Wendy D. Cornell, Ian Dunham, Gerhard F. Ecker, Kristina Edfeldt, Aled M. Edwards, Michael K. Gilson, Claudia R. Gordijo, Gerhard Hessler, Alexander Hillisch, Anders Hogner, John J. Irwin, Johanna M. Jansen, Daniel Kuhn, Andrew R. Leach, Alpha A. Lee, Uta Lessel, John Moult, Ingo Muegge, Tudor I. Oprea, Benjamin G. Perry, Patrick Riley, Kumar Singh Saikatendu, Vijayaratnam Santhakumar, Matthieu Schapira, Cora Scholten, Matthew H. Todd, Masoud Vedadi, Andrea Volkamer, Timothy M. Willson
مصطلحات موضوعية: public-private partnership, machine learning, in silico design, CACHE, open science, small molecule drug discovery, artificial intelligence, computational chemistry, hit-finding challenges
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::14ff20377f97c4f069e09484e87a7f2c
https://doi.org/10.26434/chemrxiv-2021-rzq4n -
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المؤلفون: Uta Lessel, Christian Lemmen
المصدر: ACS Med Chem Lett
مصطلحات موضوعية: Drug discovery, business.industry, Computer science, Complementarity (molecular biology), Organic Chemistry, Drug Discovery, Artificial intelligence, business, Machine learning, computer.software_genre, Biochemistry, computer, Task (project management)
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::509b49c6b662b92581e2a0e3e11dc9f5
https://europepmc.org/articles/PMC6792285/ -
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المؤلفون: Ralf Heilker, Uta Lessel, Daniel Bischoff
المصدر: Drug discovery today. 24(2)
مصطلحات موضوعية: 0301 basic medicine, Pharmacology, Computer science, Drug discovery, In silico, Computational biology, 03 medical and health sciences, 030104 developmental biology, 0302 clinical medicine, Phenotype, Drug development, Active compound, 030220 oncology & carcinogenesis, Drug Discovery, Humans
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المؤلفون: Anna S, Kamenik, Uta, Lessel, Julian E, Fuchs, Thomas, Fox, Klaus R, Liedl
المصدر: Journal of Chemical Information and Modeling
مصطلحات موضوعية: Quantitative Biology::Biomolecules, Macrocyclic Compounds, Protein Conformation, Thermodynamics, Molecular Dynamics Simulation, Peptides, Article
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المؤلفون: Uta Lessel, J. Robert Fischer, Matthias Rarey
المصدر: Journal of Chemical Information and Modeling. 51:2156-2163
مصطلحات موضوعية: Small Molecule Libraries, Library design, General Chemical Engineering, Graph (abstract data type), General Chemistry, Information loss, Data mining, Library and Information Sciences, computer.software_genre, computer, Computer Science Applications, Mathematics
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المؤلفون: Markus Lilienthal, Holger Claussen, Uta Lessel, Bernd Wellenzohn
المصدر: Journal of Chemical Information and Modeling. 49:270-279
مصطلحات موضوعية: Virtual screening, Workflow, Theoretical computer science, General Chemical Engineering, Combinatorial Chemistry Techniques, Information Storage and Retrieval, General Chemistry, Library and Information Sciences, ENCODE, Computer Science Applications, Mathematics, Rendering (computer graphics)
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المؤلفون: Uta Lessel
المصدر: De novo Molecular Design
مصطلحات موضوعية: Fragment (logic), Computer science, Combinatorial chemistry
URL الوصول: https://explore.openaire.eu/search/publication?articleId=doi_________::1e47060f0530b3e7ac45be435ab7de76
https://doi.org/10.1002/9783527677016.ch15