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Material Type: Artigo
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The coefficient of determination R-squared is more informative than SMAPE, MAE, MAPE, MSE and RMSE in regression analysis evaluationChicco, Davide ; Warrens, Matthijs J ; Jurman, GiuseppePeerJ. Computer science, 2021-07, Vol.7, p.e623-e623, Article e623 [Periódico revisado por pares]San Diego: PeerJ. LtdTexto completo disponível |
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Material Type: Artigo
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SymPy: symbolic computing in PythonMeurer, Aaron ; Smith, Christopher P ; Paprocki, Mateusz ; Certík, Ondrej ; Kirpichev, Sergey B ; Rocklin, Matthew ; Kumar, AMiT ; Ivanov, Sergiu ; Moore, Jason K ; Singh, Sartaj ; Rathnayake, Thilina ; Vig, Sean ; Granger, Brian E ; Muller, Richard P ; Bonazzi, Francesco ; Gupta, Harsh ; Vats, Shivam ; Johansson, Fredrik ; Pedregosa, Fabian ; Curry, Matthew J ; Terrel, Andy R ; Roucka, Stepán ; Saboo, Ashutosh ; Fernando, Isuru ; Kulal, Sumith ; Cimrman, Robert ; Scopatz, AnthonyPeerJ. Computer science, 2017-01, Vol.3, p.e103, Article e103 [Periódico revisado por pares]San Diego: PeerJ. LtdTexto completo disponível |
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Material Type: Artigo
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Bracken: estimating species abundance in metagenomics dataLu, Jennifer ; Breitwieser, Florian P ; Thielen, Peter ; Salzberg, Steven LPeerJ. Computer science, 2017-01, Vol.3, p.e104, Article e104 [Periódico revisado por pares]San Diego: PeerJ. LtdTexto completo disponível |
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Material Type: Artigo
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Could graph neural networks learn better molecular representation for drug discovery? A comparison study of descriptor-based and graph-based modelsJiang, Dejun ; Wu, Zhenxing ; Hsieh, Chang-Yu ; Chen, Guangyong ; Liao, Ben ; Wang, Zhe ; Shen, Chao ; Cao, Dongsheng ; Wu, Jian ; Hou, TingjunJournal of cheminformatics, 2021-02, Vol.13 (1), p.12-12, Article 12 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Molecular representations in AI-driven drug discovery: a review and practical guideDavid, Laurianne ; Thakkar, Amol ; Mercado, Rocío ; Engkvist, OlaJournal of cheminformatics, 2020-09, Vol.12 (1), p.56-56, Article 56 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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Survey of intrusion detection systems: techniques, datasets and challengesKhraisat, Ansam ; Gondal, Iqbal ; Vamplew, Peter ; Kamruzzaman, JoarderCybersecurity (Singapore), 2019-07, Vol.2 (1), p.1-22, Article 20 [Periódico revisado por pares]Singapore: Springer SingaporeTexto completo disponível |
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Material Type: Artigo
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Review on natural products databases: where to find data in 2020Sorokina, Maria ; Steinbeck, ChristophJournal of cheminformatics, 2020-04, Vol.12 (1), p.20-20, Article 20 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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The CompTox Chemistry Dashboard: a community data resource for environmental chemistryWilliams, Antony J. ; Grulke, Christopher M. ; Edwards, Jeff ; McEachran, Andrew D. ; Mansouri, Kamel ; Baker, Nancy C. ; Patlewicz, Grace ; Shah, Imran ; Wambaugh, John F. ; Judson, Richard S. ; Richard, Ann M.Journal of cheminformatics, 2017-11, Vol.9 (1), p.61-27, Article 61 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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COCONUT online: Collection of Open Natural Products databaseSorokina, Maria ; Merseburger, Peter ; Rajan, Kohulan ; Yirik, Mehmet Aziz ; Steinbeck, ChristophJournal of cheminformatics, 2021-01, Vol.13 (1), p.2-2, Article 2 [Periódico revisado por pares]Cham: Springer International PublishingTexto 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 |