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Material Type: Artigo
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Probabilistic programming in Python using PyMC3Salvatier, John ; Wiecki, Thomas V. ; Fonnesbeck, ChristopherPeerJ. Computer science, 2016-04, Vol.2, p.e55, Article e55 [Periódico revisado por pares]San Diego: PeerJ, IncTexto completo disponível |
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Material Type: Artigo
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RIdeogram : drawing SVG graphics to visualize and map genome-wide data on the idiogramsHao, Zhaodong ; Lv, Dekang ; Ge, Ying ; Shi, Jisen ; Weijers, Dolf ; Yu, Guangchuang ; Chen, JinhuiPeerJ. Computer science, 2020-01, Vol.6, p.e251-e251, Article e251 [Periódico revisado por pares]United States: PeerJ. LtdTexto completo disponível |
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3 |
Material Type: Artigo
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BioTransformer: a comprehensive computational tool for small molecule metabolism prediction and metabolite identificationDjoumbou-Feunang, Yannick ; Fiamoncini, Jarlei ; Gil-de-la-Fuente, Alberto ; Greiner, Russell ; Manach, Claudine ; Wishart, David S.Journal of cheminformatics, 2019-01, Vol.11 (1), p.2-25, Article 2 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET databaseDong, Jie ; Wang, Ning-Ning ; Yao, Zhi-Jiang ; Zhang, Lin ; Cheng, Yan ; Ouyang, Defang ; Lu, Ai-Ping ; Cao, Dong-ShengJournal of cheminformatics, 2018-06, Vol.10 (1), p.29-11, Article 29 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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AiZynthFinder: a fast, robust and flexible open-source software for retrosynthetic planningGenheden, Samuel ; Thakkar, Amol ; Chadimová, Veronika ; Reymond, Jean-Louis ; Engkvist, Ola ; Bjerrum, EsbenJournal of cheminformatics, 2020-11, Vol.12 (1), p.70-70, Article 70 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Supercell program: a combinatorial structure-generation approach for the local-level modeling of atomic substitutions and partial occupancies in crystalsOkhotnikov, Kirill ; Charpentier, Thibault ; Cadars, SylvianJournal of cheminformatics, 2016-03, Vol.8 (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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P2Rank: machine learning based tool for rapid and accurate prediction of ligand binding sites from protein structureKrivák, Radoslav ; Hoksza, DavidJournal of cheminformatics, 2018-08, Vol.10 (1), p.39-12, Article 39 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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OncoLnc: linking TCGA survival data to mRNAs, miRNAs, and lncRNAsAnaya, JordanPeerJ. Computer science, 2016-06, Vol.2, p.e67, Article e67 [Periódico revisado por pares]San Diego: PeerJ. LtdTexto completo disponível |
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Material Type: Artigo
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Mordred: a molecular descriptor calculatorMoriwaki, Hirotomo ; Tian, Yu-Shi ; Kawashita, Norihito ; Takagi, TatsuyaJournal of cheminformatics, 2018-02, Vol.10 (1), p.4-4, Article 4 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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10 |
Material Type: Artigo
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Review of deep learning: concepts, CNN architectures, challenges, applications, future directionsAlzubaidi, Laith ; Zhang, Jinglan ; Humaidi, Amjad J. ; Al-Dujaili, Ayad ; Duan, Ye ; Al-Shamma, Omran ; Santamaría, J. ; Fadhel, Mohammed A. ; Al-Amidie, Muthana ; Farhan, LaithJournal of big data, 2021-03, Vol.8 (1), p.53-53, Article 53 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |