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Material Type: Artigo
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Deep Architectures and Deep Learning in Chemoinformatics: The Prediction of Aqueous Solubility for Drug-Like MoleculesLusci, Alessandro ; Pollastri, Gianluca ; Baldi, PierreJournal of chemical information and modeling, 2013-07, Vol.53 (7), p.1563-1575 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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2 |
Material Type: Artigo
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admetSAR: A Comprehensive Source and Free Tool for Assessment of Chemical ADMET PropertiesCheng, Feixiong ; Li, Weihua ; Zhou, Yadi ; Shen, Jie ; Wu, Zengrui ; Liu, Guixia ; Lee, Philip W ; Tang, YunJournal of chemical information and modeling, 2012-11, Vol.52 (11), p.3099-3105 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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Autodock Vina Adopts More Accurate Binding Poses but Autodock4 Forms Better Binding AffinityNguyen, Nguyen Thanh ; Nguyen, Trung Hai ; Pham, T. Ngoc Han ; Huy, Nguyen Truong ; Bay, Mai Van ; Pham, Minh Quan ; Nam, Pham Cam ; Vu, Van V ; Ngo, Son TungJournal of chemical information and modeling, 2020-01, Vol.60 (1), p.204-211 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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4 |
Material Type: Artigo
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TRAVIS - A Free Analyzer and Visualizer for Monte Carlo and Molecular Dynamics TrajectoriesBrehm, Martin ; Kirchner, BarbaraJournal of chemical information and modeling, 2011-08, Vol.51 (8), p.2007-2023 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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5 |
Material Type: Artigo
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Managing the Computational Chemistry Big Data Problem: The ioChem-BD PlatformÁlvarez-Moreno, M ; de Graaf, C ; López, N ; Maseras, F ; Poblet, J. M ; Bo, CJournal of chemical information and modeling, 2015-01, Vol.55 (1), p.95-103 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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6 |
Material Type: Artigo
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Comparative Studies on Some Metrics for External Validation of QSPR ModelsRoy, Kunal ; Mitra, Indrani ; Kar, Supratik ; Ojha, Probir Kumar ; Das, Rudra Narayan ; Kabir, HumayunJournal of chemical information and modeling, 2012-02, Vol.52 (2), p.396-408 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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7 |
Material Type: Artigo
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Extreme Gradient Boosting as a Method for Quantitative Structure–Activity RelationshipsSheridan, Robert P ; Wang, Wei Min ; Liaw, Andy ; Ma, Junshui ; Gifford, Eric MJournal of chemical information and modeling, 2016-12, Vol.56 (12), p.2353-2360 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Complex heatmaps reveal patterns and correlations in multidimensional genomic dataGu, Zuguang ; Eils, Roland ; Schlesner, MatthiasBioinformatics (Oxford, England), 2016-09, Vol.32 (18), p.2847-2849 [Periódico revisado por pares]EnglandTexto completo disponível |
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9 |
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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10 |
Material Type: Artigo
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Identifying and removing haplotypic duplication in primary genome assembliesGuan, Dengfeng ; McCarthy, Shane A ; Wood, Jonathan ; Howe, Kerstin ; Wang, Yadong ; Durbin, Richard Valencia, AlfonsoBioinformatics, 2020-05, Vol.36 (9), p.2896-2898 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |