MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. - Mahendra Awale; Ruud van Deursen; Jean-Louis Reymond (J. Chem. Inf. Model., 2013)

SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules. - Julian Schwartz; Mahendra Awale; Jean-Louis Reymond (J. Chem. Inf. Model., 2013)

Expanding the fragrance chemical space for virtual screening. - Lars Ruddigkeit; Mahendra Awale; Jean-Louis Reymond (J. Cheminformatics, 2014)

Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17. - Mahendra Awale; Jean-Louis Reymond (J. Chem. Inf. Model., 2014)

"Social" Network of Isomers Based on Bond Count Distance: Algorithms. - Tina M. Kouri; Mahendra Awale; James K. Slyby; Jean-Louis Reymond; Dinesh P. Mehta (J. Chem. Inf. Model., 2014)

A multi-fingerprint browser for the ZINC database. - Mahendra Awale; Jean-Louis Reymond (Nucleic Acids Res., 2014)

PDB-Explorer: a web-based interactive map of the protein data bank in shape space. - Xian Jin; Mahendra Awale; Michaël Zasso; Daniel Kostro; Luc Patiny; Jean-Louis Reymond (BMC Bioinform., 2015)

Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints. - Mahendra Awale; Xian Jin; Jean-Louis Reymond (J. Cheminformatics, 2015)

Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces. - Mahendra Awale; Jean-Louis Reymond (J. Chem. Inf. Model., 2015)

Web-based 3D-visualization of the DrugBank chemical space. - Mahendra Awale; Jean-Louis Reymond (J. Cheminformatics, 2016)

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data. - Mahendra Awale; Jean-Louis Reymond (J. Cheminformatics, 2017)

WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces. - Mahendra Awale; Daniel Probst; Jean-Louis Reymond (J. Chem. Inf. Model., 2017)

Fragment Database FDB-17. - Ricardo Visini; Mahendra Awale; Jean-Louis Reymond (J. Chem. Inf. Model., 2017)

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits. - Víctor Sebastián-Pérez; Carlos Roca; Mahendra Awale; Jean-Louis Reymond; Ana Martínez; Carmen Gil; Nuria E. Campillo (J. Chem. Inf. Model., 2017)

Virtual Exploration of the Ring Systems Chemical Universe. - Ricardo Visini; Josep Arús-Pous; Mahendra Awale; Jean-Louis Reymond (J. Chem. Inf. Model., 2017)

Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning. - Mahendra Awale; Jean-Louis Reymond (J. Chem. Inf. Model., 2019)

Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks. - Mahendra Awale; Finton Sirockin; Nikolaus Stiefl; Jean-Louis Reymond (J. Chem. Inf. Model., 2019)

Matched Molecular Series Analysis for ADME Property Prediction. - Mahendra Awale; Sereina Riniker; Christian Kramer (J. Chem. Inf. Model., 2020)

The Playbooks of Medicinal Chemistry Design Moves. - Mahendra Awale; Jérôme Hert; Laura Guasch; Sereina Riniker; Christian Kramer (J. Chem. Inf. Model., 2021)