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Material Type: Artigo
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ExCAPE-DB: an integrated large scale dataset facilitating Big Data analysis in chemogenomicsSun, Jiangming ; Jeliazkova, Nina ; Chupakhin, Vladimir ; Golib-Dzib, Jose-Felipe ; Engkvist, Ola ; Carlsson, Lars ; Wegner, Jörg ; Ceulemans, Hugo ; Georgiev, Ivan ; Jeliazkov, Vedrin ; Kochev, Nikolay ; Ashby, Thomas J. ; Chen, HongmingJournal of cheminformatics, 2017-03, Vol.9 (1), p.17-17, Article 17 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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kGCN: a graph-based deep learning framework for chemical structuresKojima, Ryosuke ; Ishida, Shoichi ; Ohta, Masateru ; Iwata, Hiroaki ; Honma, Teruki ; Okuno, YasushiJournal of cheminformatics, 2020-05, Vol.12 (1), p.32-32, Article 32 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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SAR and QSAR modeling of a large collection of LD50 rat acute oral toxicity dataGadaleta, Domenico ; Vuković, Kristijan ; Toma, Cosimo ; Lavado, Giovanna J. ; Karmaus, Agnes L. ; Mansouri, Kamel ; Kleinstreuer, Nicole C. ; Benfenati, Emilio ; Roncaglioni, AlessandraJournal of cheminformatics, 2019-08, Vol.11 (1), p.1-16, Article 58 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Large scale comparison of QSAR and conformal prediction methods and their applications in drug discoveryBosc, Nicolas ; Atkinson, Francis ; Felix, Eloy ; Gaulton, Anna ; Hersey, Anne ; Leach, Andrew R.Journal of cheminformatics, 2019-01, Vol.11 (1), p.4-4, Article 4 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Inferring potential small molecule–miRNA association based on triple layer heterogeneous networkQu, Jia ; Chen, Xing ; Sun, Ya-Zhou ; Li, Jian-Qiang ; Ming, ZhongJournal of cheminformatics, 2018-06, Vol.10 (1), p.30-14, Article 30 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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ACID: a free tool for drug repurposing using consensus inverse docking strategyWang, Fan ; Wu, Feng-Xu ; Li, Cheng-Zhang ; Jia, Chen-Yang ; Su, Sun-Wen ; Hao, Ge-Fei ; Yang, Guang-FuJournal of cheminformatics, 2019-11, Vol.11 (1), p.73-11, Article 73 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Lifelong Learning of Spatiotemporal Representations With Dual-Memory Recurrent Self-OrganizationParisi, German I ; Tani, Jun ; Weber, Cornelius ; Wermter, StefanFrontiers in neurorobotics, 2018-11, Vol.12, p.78-78 [Periódico revisado por pares]Switzerland: Frontiers Research FoundationTexto completo disponível |
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Material Type: Artigo
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HobPre: accurate prediction of human oral bioavailability for small moleculesWei, Min ; Zhang, Xudong ; Pan, Xiaolin ; Wang, Bo ; Ji, Changge ; Qi, Yifei ; Zhang, John Z. H.Journal of cheminformatics, 2022-01, Vol.14 (1), p.1-1, Article 1 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Modeling of Experimental Adsorption Isotherm DataChen, XunjunInformation (Basel), 2015, Vol.6 (1), p.14-22 [Periódico revisado por pares]Basel: MDPI AGTexto completo disponível |
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Material Type: Artigo
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A Grey-Box Ensemble Model Exploiting Black-Box Accuracy and White-Box Intrinsic InterpretabilityPintelas, Emmanuel ; Livieris, Ioannis E. ; Pintelas, PanagiotisAlgorithms, 2020-01, Vol.13 (1), p.17 [Periódico revisado por pares]Basel: MDPI AGTexto completo disponível |