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Material Type: Artigo
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Ten simple rules for an inclusive summer coding program for non-computer-science undergraduatesPennings, Pleuni ; Banuelos, Mayra M ; Catalan, Francisca L ; Caudill, Victoria R ; Chakalov, Bozhidar ; Hernandez, Selena ; Jones, Jeanice ; Okorie, Chinomnso ; Modrek, Sepideh ; Rohlfs, Rori ; Adelstein, Nicole Schwartz, RussellPLoS computational biology, 2020-09, Vol.16 (9), p.e1007833-e1007833 [Periódico revisado por pares]San Francisco: Public Library of ScienceTexto 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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Special Issue on ‘Computer Science in Sport’Dawson, ChristianApplied sciences, 2022-08, Vol.12 (16), p.8053 [Periódico revisado por pares]Basel: MDPI AGTexto 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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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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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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RAxML-NG: a fast, scalable and user-friendly tool for maximum likelihood phylogenetic inferenceKozlov, Alexey M ; Darriba, Diego ; Flouri, Tomáš ; Morel, Benoit ; Stamatakis, Alexandros Wren, JonathanBioinformatics, 2019-11, Vol.35 (21), p.4453-4455 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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Material Type: Artigo
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An open source chemical structure curation pipeline using RDKitBento, A. Patrícia ; Hersey, Anne ; Félix, Eloy ; Landrum, Greg ; Gaulton, Anna ; Atkinson, Francis ; Bellis, Louisa J. ; De Veij, Marleen ; Leach, Andrew R.Journal of cheminformatics, 2020-09, Vol.12 (1), p.51-51, Article 51 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
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Material Type: Artigo
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fastp: an ultra-fast all-in-one FASTQ preprocessorChen, Shifu ; Zhou, Yanqing ; Chen, Yaru ; Gu, JiaBioinformatics, 2018-09, Vol.34 (17), p.i884-i890 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |