Result Number | Material Type | Add to My Shelf Action | Record Details and Options |
---|---|---|---|
1 |
Material Type: Artigo
|
Cross-validation pitfalls when selecting and assessing regression and classification modelsKrstajic, Damjan ; Buturovic, Ljubomir J ; Leahy, David E ; Thomas, SimonJournal of cheminformatics, 2014-03, Vol.6 (1), p.10-10, Article 10 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
|
2 |
Material Type: Artigo
|
Open-source platform to benchmark fingerprints for ligand-based virtual screeningRiniker, Sereina ; Landrum, Gregory AJournal of cheminformatics, 2013-05, Vol.5 (1), p.26-26, Article 26 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
|
3 |
Material Type: Artigo
|
MOLE 2.0: advanced approach for analysis of biomacromolecular channelsSehnal, David ; Svobodová Vařeková, Radka ; Berka, Karel ; Pravda, Lukáš ; Navrátilová, Veronika ; Banáš, Pavel ; Ionescu, Crina-Maria ; Otyepka, Michal ; Koča, JaroslavJournal of cheminformatics, 2013-08, Vol.5 (1), p.39-39, Article 39 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
|
4 |
Material Type: Artigo
|
Deep-learning: investigating deep neural networks hyper-parameters and comparison of performance to shallow methods for modeling bioactivity dataKoutsoukas, Alexios ; Monaghan, Keith J. ; Li, Xiaoli ; Huan, JunJournal of cheminformatics, 2017-06, Vol.9 (1), p.42-42, Article 42 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
|
5 |
Material Type: Artigo
|
Enhancing of chemical compound and drug name recognition using representative tag scheme and fine-grained tokenizationDai, Hong-Jie ; Lai, Po-Ting ; Chang, Yung-Chun ; Tsai, Richard Tzong-HanJournal of cheminformatics, 2015, Vol.7 (Suppl 1), p.S14-S14, Article S14 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
|
6 |
Material Type: Artigo
|
An integrative approach to ortholog prediction for disease-focused and other functional studiesHu, Yanhui ; Flockhart, Ian ; Vinayagam, Arunachalam ; Bergwitz, Clemens ; Berger, Bonnie ; Perrimon, Norbert ; Mohr, Stephanie EBMC bioinformatics, 2011-08, Vol.12 (1), p.357-357, Article 357 [Periódico revisado por pares]England: BioMed Central LtdTexto completo disponível |
|
7 |
Material Type: Artigo
|
Similarity maps - a visualization strategy for molecular fingerprints and machine-learning methodsRiniker, Sereina ; Landrum, Gregory AJournal of cheminformatics, 2013-09, Vol.5 (1), p.43-43, Article 43 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
|
8 |
Material Type: Artigo
|
Computationally efficient flux variability analysisGudmundsson, Steinn ; Thiele, InesBMC bioinformatics, 2010-09, Vol.11 (1), p.489-489, Article 489 [Periódico revisado por pares]England: BioMed Central LtdTexto completo disponível |
|
9 |
Material Type: Artigo
|
Prediction of cyclin-dependent kinase 2 inhibitor potency using the fragment molecular orbital methodMazanetz, Michael P ; Ichihara, Osamu ; Law, Richard J ; Whittaker, MarkJournal of cheminformatics, 2011-01, Vol.3 (1), p.2-2, Article 2 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |
|
10 |
Material Type: Artigo
|
OMG: Open Molecule GeneratorPeironcely, Julio E ; Rojas-Chertó, Miguel ; Fichera, Davide ; Reijmers, Theo ; Coulier, Leon ; Faulon, Jean-Loup ; Hankemeier, ThomasJournal of cheminformatics, 2012-09, Vol.4 (1), p.21-21, Article 21 [Periódico revisado por pares]Cham: Springer International PublishingTexto completo disponível |