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Journal of Cheminformatics|December 21, 2012
chemf: A purely functional chemistry toolkitStefan Höck, Rainer RiedlJournal of Cheminformatics|January 8, 2013
PubChem3D: conformer ensemble accuracySunghwan Kim, Evan E Bolton, Stephen H BryantJournal of Cheminformatics|August 30, 2013
MONA - Interactive manipulation of molecule collectionsMatthias Hilbig, Sascha Urbaczek, Inken Groth, et al.Journal of Cheminformatics|June 1, 2013
Defining a novel k-nearest neighbours approach to assess the applicability domain of a QSAR model for reliable predictionsFaizan Sahigara, Davide Ballabio, Roberto Todeschini, et al.Journal of Cheminformatics|June 27, 2013
Drug repositioning: a machine-learning approach through data integrationFrancesco Napolitano, Yan Zhao, Vânia M Moreira, et al.Journal of Cheminformatics|June 27, 2013
Predicting the protein targets for athletic performance-enhancing substancesLazaros Mavridis, John Bo MitchellJournal of Cheminformatics|May 28, 2013
From data to analysis: linking NWChem and Avogadro with the syntax and semantics of Chemical Markup LanguageWibe A de Jong, Andrew M Walker, Marcus D HanwellJournal of Cheminformatics|October 25, 2013
International chemical identifier for reactions (RInChI)Guenter Grethe, Jonathan M Goodman, Chad Hg AllenJournal of Cheminformatics|November 27, 2012
Fast rule-based bioactivity prediction using associative classification miningPulan Yu, David J WildJournal of Cheminformatics|November 29, 2012
Simulating the drug discovery pipeline: a Monte Carlo approachMelvin J YuPageof 137