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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 [Revista revisada por pares]United States: American Chemical SocietyTexto completo disponible |
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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 [Revista revisada por pares]Washington, DC: American Chemical SocietyTexto completo disponible |
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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 [Revista revisada por pares]United States: American Chemical SocietyTexto completo disponible |
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REINVENT 2.0: An AI Tool for De Novo Drug DesignBlaschke, Thomas ; Arús-Pous, Josep ; Chen, Hongming ; Margreitter, Christian ; Tyrchan, Christian ; Engkvist, Ola ; Papadopoulos, Kostas ; Patronov, AtanasJournal of chemical information and modeling, 2020-12, Vol.60 (12), p.5918-5922 [Revista revisada por pares]United States: American Chemical SocietyTexto completo disponible |
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Material Type: Libro
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Computer Vision: Algorithms and ApplicationsSzeliski, RichardLondon: Springer Nature 2010Texto completo disponible |
| 6 |
Material Type: Artículo
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Practical Bayesian model evaluation using leave-one-out cross-validation and WAICVehtari, Aki ; Gelman, Andrew ; Gabry, JonahStatistics and computing, 2017, Vol.27 (5), p.1413-1432 [Revista revisada por pares]New York: Springer USTexto completo disponible |
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Material Type: Artículo
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Protein–Ligand Scoring with Convolutional Neural NetworksRagoza, Matthew ; Hochuli, Joshua ; Idrobo, Elisa ; Sunseri, Jocelyn ; Koes, David RyanJournal of chemical information and modeling, 2017-04, Vol.57 (4), p.942-957 [Revista revisada por pares]United States: American Chemical SocietyTexto completo disponible |
| 8 |
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Deep Learning in ChemistryMater, Adam C ; Coote, Michelle LJournal of chemical information and modeling, 2019-06, Vol.59 (6), p.2545-2559 [Revista revisada por pares]United States: American Chemical SocietyTexto completo disponible |
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Network-Oriented Modeling: Addressing Complexity of Cognitive, Affective and Social InteractionsTreur, JanCham: Springer Nature 2016Texto completo disponible |
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Material Type: Artículo
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GeoAI: spatially explicit artificial intelligence techniques for geographic knowledge discovery and beyondJanowicz, Krzysztof ; Gao, Song ; McKenzie, Grant ; Hu, Yingjie ; Bhaduri, BudhendraInternational journal of geographical information science : IJGIS, 2020-04, Vol.34 (4), p.625-636 [Revista revisada por pares]Abingdon: Taylor & FrancisTexto completo disponible |
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