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Bioorganic & Medicinal Chemistry|April 3, 2012
Cluster analysis of the DrugBank chemical space using molecular quantum numbersMahendra Awale, Jean-Louis ReymondJournal of Cheminformatics|March 9, 2017
The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity dataMahendra Awale, Jean-Louis ReymondJournal of Chemical Information and Modeling|July 25, 2015
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical SpacesMahendra Awale, Jean-Louis ReymondJournal of Chemical Information and Modeling|July 3, 2014
Atom pair 2D-fingerprints perceive 3D-molecular shape and pharmacophores for very fast virtual screening of ZINC and GDB-17Mahendra Awale, Jean-Louis ReymondMethods in Molecular Biology (Clifton, N.J.)|December 7, 2018
Web-Based Tools for Polypharmacology PredictionMahendra Awale, Jean-Louis ReymondNucleic Acids Research|May 1, 2014
A multi-fingerprint browser for the ZINC databaseMahendra Awale, Jean-Louis ReymondJournal of Cheminformatics|May 6, 2016
Web-based 3D-visualization of the DrugBank chemical spaceMahendra Awale, Jean-Louis ReymondJournal of Chemical Information and Modeling|December 19, 2018
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine LearningMahendra Awale, Jean-Louis ReymondACS Chemical Neuroscience|September 29, 2012
Exploring chemical space for drug discovery using the chemical universe databaseJean-Louis Reymond, Mahendra AwaleJournal of Chemical Information and Modeling|March 21, 2017
WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical SpacesMahendra Awale, Daniel Probst, Jean-Louis ReymondPageof 27