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Journal of Cheminformatics|January 12, 2021
MFsim-an open Java all-in-one rich-client simulation environment for mesoscopic simulationKarina van den Broek, Mirco Daniel, Matthias Epple, et al.Journal of Cheminformatics|January 12, 2021
Multi-task learning with a natural metric for quantitative structure activity relationship learningNoureddin Sadawi, Ivan Olier, Joaquin Vanschoren, et al.Journal of Cheminformatics|January 12, 2021
CReM: chemically reasonable mutations framework for structure generationPavel PolishchukJournal of Cheminformatics|January 12, 2021
EDock: blind protein-ligand docking by replica-exchange monte carlo simulationWenyi Zhang, Eric W Bell, Minghao Yin, et al.Journal of Cheminformatics|January 12, 2021
COVER: conformational oversampling as data augmentation for moleculesJennifer Hemmerich, Ece Asilar, Gerhard F EckerJournal of Cheminformatics|January 12, 2021
Learning important features from multi-view data to predict drug side effectsXujun Liang, Pengfei Zhang, Jun Li, et al.Journal of Cheminformatics|January 12, 2021
A comprehensive analysis of the history of DFT based on the bibliometric method RPYSRobin Haunschild, Andreas Barth, Bernie FrenchJournal of Cheminformatics|January 12, 2021
IntelliPatent: a web-based intelligent system for fast chemical patent claim draftingPei-Hua Wang, Yufeng Jane TsengJournal of Cheminformatics|January 12, 2021
A visual approach for analysis and inference of molecular activity spacesSamina Kausar, Andre O FalcaoJournal of Cheminformatics|January 12, 2021
rMSIcleanup: an open-source tool for matrix-related peak annotation in mass spectrometry imaging and its application to silver-assisted laser desorption/ionizationGerard Baquer, Lluc Sementé, María García-Altares, et al.Pageof 137