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Life Sciences & Biomedicine
| Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
|---|---|---|---|
| 1 |
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 |
| 2 |
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 |
| 3 |
Material Type: Artigo
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Enumeration of 166 Billion Organic Small Molecules in the Chemical Universe Database GDB-17Ruddigkeit, Lars ; van Deursen, Ruud ; Blum, Lorenz C ; Reymond, Jean-LouisJournal of chemical information and modeling, 2012-11, Vol.52 (11), p.2864-2875 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 4 |
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 |
| 5 |
Material Type: Artigo
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In Need of Bias Control: Evaluating Chemical Data for Machine Learning in Structure-Based Virtual ScreeningSieg, Jochen ; Flachsenberg, Florian ; Rarey, MatthiasJournal of chemical information and modeling, 2019-03, Vol.59 (3), p.947-961 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 6 |
Material Type: Artigo
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Does Rational Selection of Training and Test Sets Improve the Outcome of QSAR Modeling?Martin, Todd M ; Harten, Paul ; Young, Douglas M ; Muratov, Eugene N ; Golbraikh, Alexander ; Zhu, Hao ; Tropsha, AlexanderJournal of chemical information and modeling, 2012-10, Vol.52 (10), p.2570-2578 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 7 |
Material Type: Artigo
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Predictive Multitask Deep Neural Network Models for ADME-Tox Properties: Learning from Large Data SetsWenzel, Jan ; Matter, Hans ; Schmidt, FriedemannJournal of chemical information and modeling, 2019-03, Vol.59 (3), p.1253-1268 [Periódico revisado por pares]United States: American Chemical SocietyTexto completo disponível |
| 8 |
Material Type: Artigo
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SortMeRNA: fast and accurate filtering of ribosomal RNAs in metatranscriptomic dataKOPYLOVA, Evguenia ; NOE, Laurent ; TOUZET, HélèneBioinformatics, 2012-12, Vol.28 (24), p.3211-3217 [Periódico revisado por pares]Oxford: Oxford University PressTexto completo disponível |
| 9 |
Material Type: Artigo
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ID-Score: A New Empirical Scoring Function Based on a Comprehensive Set of Descriptors Related to Protein–Ligand InteractionsLi, Guo-Bo ; Yang, Ling-Ling ; Wang, Wen-Jing ; Li, Lin-Li ; Yang, Sheng-YongJournal of chemical information and modeling, 2013-03, Vol.53 (3), p.592-600 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
| 10 |
Material Type: Artigo
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Similarity Coefficients for Binary Chemoinformatics Data: Overview and Extended Comparison Using Simulated and Real Data SetsTodeschini, Roberto ; Consonni, Viviana ; Xiang, Hua ; Holliday, John ; Buscema, Massimo ; Willett, PeterJournal of chemical information and modeling, 2012-11, Vol.52 (11), p.2884-2901 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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