Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
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Material Type: Artigo
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Time-Split Cross-Validation as a Method for Estimating the Goodness of Prospective PredictionSheridan, Robert PJournal of chemical information and modeling, 2013-04, Vol.53 (4), p.783-790 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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2 |
Material Type: Artigo
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Computational Prediction of Metabolism: Sites, Products, SAR, P450 Enzyme Dynamics, and MechanismsKirchmair, Johannes ; Williamson, Mark J ; Tyzack, Jonathan D ; Tan, Lu ; Bond, Peter J ; Bender, Andreas ; Glen, Robert CJournal of chemical information and modeling, 2012-03, Vol.52 (3), p.617-648 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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3 |
Material Type: Artigo
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A review of predictive nonlinear theories for multiscale modeling of heterogeneous materialsMatouš, Karel ; Geers, Marc G.D. ; Kouznetsova, Varvara G. ; Gillman, AndrewJournal of computational physics, 2017-02, Vol.330 (C), p.192-220 [Periódico revisado por pares]Cambridge: Elsevier IncTexto completo disponível |
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4 |
Material Type: Artigo
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Linear, first and second-order, unconditionally energy stable numerical schemes for the phase field model of homopolymer blendsYang, XiaofengJournal of computational physics, 2016-12, Vol.327, p.294-316 [Periódico revisado por pares]Cambridge: Elsevier IncTexto completo disponível |
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Material Type: Artigo
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NNScore: A Neural-Network-Based Scoring Function for the Characterization of Protein−Ligand ComplexesDurrant, Jacob D ; McCammon, J. AndrewJournal of chemical information and modeling, 2010-10, Vol.50 (10), p.1865-1871 [Periódico revisado por pares]Washington, DC: American Chemical SocietyTexto completo disponível |
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Material Type: Artigo
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Quartet inference from SNP data under the coalescent modelChifman, Julia ; Kubatko, LauraBioinformatics, 2014-12, Vol.30 (23), p.3317-3324 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |
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7 |
Material Type: Artigo
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A family of high-order targeted ENO schemes for compressible-fluid simulationsFu, Lin ; Hu, Xiangyu Y. ; Adams, Nikolaus A.Journal of computational physics, 2016-01, Vol.305, p.333-359 [Periódico revisado por pares]Elsevier IncTexto completo disponível |
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8 |
Material Type: Artigo
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Reliable ABC model choice via random forestsPudlo, Pierre ; Marin, Jean-Michel ; Estoup, Arnaud ; Cornuet, Jean-Marie ; Gautier, Mathieu ; Robert, Christian PBioinformatics, 2016-03, Vol.32 (6), p.859-866 [Periódico revisado por pares]England: Oxford University Press (OUP)Texto completo disponível |
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9 |
Material Type: Artigo
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Firedrake: Automating the Finite Element Method by Composing AbstractionsRathgeber, Florian ; Ham, David A. ; Mitchell, Lawrence ; Lange, Michael ; Luporini, Fabio ; Mcrae, Andrew T. T. ; Bercea, Gheorghe-Teodor ; Markall, Graham R. ; Kelly, Paul H. J.ACM transactions on mathematical software, 2017-01, Vol.43 (3), p.1-27 [Periódico revisado por pares]Texto completo disponível |
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10 |
Material Type: Artigo
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Power and sample-size estimation for microbiome studies using pairwise distances and PERMANOVAKelly, Brendan J ; Gross, Robert ; Bittinger, Kyle ; Sherrill-Mix, Scott ; Lewis, James D ; Collman, Ronald G ; Bushman, Frederic D ; Li, HongzheBioinformatics, 2015-08, Vol.31 (15), p.2461-2468 [Periódico revisado por pares]England: Oxford University PressTexto completo disponível |