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Material Type: Artigo
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Gamification and Computer Science Students' ActivityGarcia-Iruela, Miguel ; Fonseca, Manuel J. ; Hijon-Neira, Raquel ; Chambel, TeresaIEEE access, 2020, Vol.8, p.96829-96836 [Periódico revisado por pares]Piscataway: IEEETexto completo disponível |
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2 |
Material Type: Artigo
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AutoDock Vina 1.2.0: New Docking Methods, Expanded Force Field, and Python BindingsEberhardt, Jerome ; Santos-Martins, Diogo ; Tillack, Andreas F ; Forli, StefanoJournal of chemical information and modeling, 2021-08, Vol.61 (8), p.3891-3898 [Periódico revisado por pares]Washington: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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ZINC20A Free Ultralarge-Scale Chemical Database for Ligand DiscoveryIrwin, John J ; Tang, Khanh G ; Young, Jennifer ; Dandarchuluun, Chinzorig ; Wong, Benjamin R ; Khurelbaatar, Munkhzul ; Moroz, Yurii S ; Mayfield, John ; Sayle, Roger AJournal of chemical information and modeling, 2020-12, Vol.60 (12), p.6065-6073 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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A Survey on Quaternion Algebra and Geometric Algebra Applications in Engineering and Computer Science 1995-2020Bayro-Corrochano, EduardoIEEE access, 2021, Vol.9, p.104326-104355 [Periódico revisado por pares]Piscataway: IEEETexto completo disponível |
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5 |
Material Type: Artigo
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Reinforced Adversarial Neural Computer for de Novo Molecular DesignPutin, Evgeny ; Asadulaev, Arip ; Ivanenkov, Yan ; Aladinskiy, Vladimir ; Sanchez-Lengeling, Benjamin ; Aspuru-Guzik, Alán ; Zhavoronkov, AlexJournal of chemical information and modeling, 2018-06, Vol.58 (6), p.1194-1204 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Deep Architectures and Deep Learning in Chemoinformatics: The Prediction of Aqueous Solubility for Drug-Like MoleculesLusci, Alessandro ; Pollastri, Gianluca ; Baldi, PierreJournal of chemical information and modeling, 2013-07, Vol.53 (7), p.1563-1575 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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7 |
Material Type: Artigo
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The Synthesizability of Molecules Proposed by Generative ModelsGao, Wenhao ; Coley, Connor WJournal of chemical information and modeling, 2020-12, Vol.60 (12), p.5714-5723 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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8 |
Material Type: Artigo
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New Basis Set Exchange: An Open, Up-to-Date Resource for the Molecular Sciences CommunityPritchard, Benjamin P ; Altarawy, Doaa ; Didier, Brett ; Gibson, Tara D ; Windus, Theresa LJournal of chemical information and modeling, 2019-11, Vol.59 (11), p.4814-4820 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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9 |
Material Type: Artigo
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Omicron Variant (B.1.1.529): Infectivity, Vaccine Breakthrough, and Antibody ResistanceChen, Jiahui ; Wang, Rui ; Gilby, Nancy Benovich ; Wei, Guo-WeiJournal of chemical information and modeling, 2022-01, Vol.62 (2), p.412-422 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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10 |
Material Type: Artigo
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ZINC 15 – Ligand Discovery for EveryoneSterling, Teague ; Irwin, John JJournal of chemical information and modeling, 2015-11, Vol.55 (11), p.2324-2337 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |