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Journal of Chemical Information and Modeling|July 13, 2013
SMIfp (SMILES fingerprint) chemical space for virtual screening and visualization of large databases of organic moleculesJulian Schwartz, Mahendra Awale, Jean-Louis ReymondJournal of Cheminformatics|May 31, 2014
Expanding the fragrance chemical space for virtual screeningLars Ruddigkeit, Mahendra Awale, Jean-Louis ReymondJournal of Cheminformatics|March 10, 2015
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprintsMahendra Awale, Xian Jin, Jean-Louis ReymondJournal of Chemical Information and Modeling|April 5, 2017
Fragment Database FDB-17Ricardo Visini, Mahendra Awale, Jean-Louis ReymondJournal of Chemical Information and Modeling|January 10, 2013
MQN-mapplet: visualization of chemical space with interactive maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13Mahendra Awale, Ruud van Deursen, Jean-Louis ReymondJournal of Chemical Information and Modeling|March 26, 2019
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural NetworksMahendra Awale, Finton Sirockin, Nikolaus Stiefl, et al.ACS Central Science|May 2, 2019
Mapping the Azolog Space Enables the Optical Control of New Biological TargetsJohannes Morstein, Mahendra Awale, Jean-Louis Reymond, et al.Molecular Informatics|June 7, 2019
Medicinal Chemistry Aware Database GDBMedChemMahendra Awale, Finton Sirockin, Nikolaus Stiefl, et al.Journal of Chemical Information and Modeling|October 12, 2017
Virtual Exploration of the Ring Systems Chemical UniverseRicardo Visini, Josep Arús-Pous, Mahendra Awale, et al.Chimia|December 30, 2019
Exploring Chemical Space with Machine LearningJosep Arús-Pous, Mahendra Awale, Daniel Probst, et al.Pageof 27