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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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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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3 |
Material Type: Artigo
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Cuckoo search: recent advances and applicationsYang, Xin-She ; Deb, SuashNeural computing & applications, 2014, Vol.24 (1), p.169-174 [Periódico revisado por pares]London: Springer LondonTexto completo disponível |
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4 |
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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Selective Search for Object RecognitionUijlings, J. R. R. ; van de Sande, K. E. A. ; Gevers, T. ; Smeulders, A. W. M.International journal of computer vision, 2013-09, Vol.104 (2), p.154-171 [Periódico revisado por pares]Boston: Springer USTexto completo disponível |
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6 |
Material Type: Artigo
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Why is Tanimoto index an appropriate choice for fingerprint-based similarity calculations?Bajusz, Dávid ; Rácz, Anita ; Héberger, KárolyJournal of cheminformatics, 2015-05, Vol.7 (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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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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A review of computational drug repositioning: strategies, approaches, opportunities, challenges, and directionsJarada, Tamer N. ; Rokne, Jon G. ; Alhajj, RedaJournal of cheminformatics, 2020-07, Vol.12 (1), p.46-46, Article 46 [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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InChI, the IUPAC International Chemical IdentifierHeller, Stephen R ; McNaught, Alan ; Pletnev, Igor ; Stein, Stephen ; Tchekhovskoi, DmitriiJournal of cheminformatics, 2015-05, Vol.7 (1), p.23-23, Article 23 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |