Mahendra Awale

Publication Activity (10 Years)

Years Active: 2013-2021
Publications (10 Years): 13

Top Topics

Virtual Screening

Interactive Visualization

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Nucleic Acids Res.

Publications

Mahendra Awale, Jérôme Hert, Laura Guasch, Sereina Riniker, Christian Kramer
The Playbooks of Medicinal Chemistry Design Moves. J. Chem. Inf. Model. 61 (2) (2021)
Mahendra Awale, Sereina Riniker, Christian Kramer
Matched Molecular Series Analysis for ADME Property Prediction. J. Chem. Inf. Model. 60 (6) (2020)
Mahendra Awale, Jean-Louis Reymond
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning. J. Chem. Inf. Model. 59 (1) (2019)
Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, Jean-Louis Reymond
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks. J. Chem. Inf. Model. 59 (4) (2019)
Mahendra Awale, Jean-Louis Reymond
The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data. J. Cheminformatics 9 (1) (2017)
Ricardo Visini, Mahendra Awale, Jean-Louis Reymond
Fragment Database FDB-17. J. Chem. Inf. Model. 57 (4) (2017)
Víctor Sebastián-Pérez, Carlos Roca, Mahendra Awale, Jean-Louis Reymond, Ana Martínez, Carmen Gil, Nuria E. Campillo
Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits. J. Chem. Inf. Model. 57 (9) (2017)
Mahendra Awale, Daniel Probst, Jean-Louis Reymond
WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces. J. Chem. Inf. Model. 57 (4) (2017)
Ricardo Visini, Josep Arús-Pous, Mahendra Awale, Jean-Louis Reymond
Virtual Exploration of the Ring Systems Chemical Universe. J. Chem. Inf. Model. 57 (11) (2017)
Mahendra Awale, Jean-Louis Reymond
Web-based 3D-visualization of the DrugBank chemical space. J. Cheminformatics 8 (1) (2016)
Xian Jin, Mahendra Awale, Michaël Zasso, Daniel Kostro, Luc Patiny, Jean-Louis Reymond
PDB-Explorer: a web-based interactive map of the protein data bank in shape space. BMC Bioinform. 16 (2015)
Mahendra Awale, Xian Jin, Jean-Louis Reymond
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints. J. Cheminformatics 7 (2015)
Mahendra Awale, Jean-Louis Reymond
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces. J. Chem. Inf. Model. 55 (8) (2015)
Mahendra Awale, Jean-Louis Reymond
Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17. J. Chem. Inf. Model. 54 (7) (2014)
Lars Ruddigkeit, Mahendra Awale, Jean-Louis Reymond
Expanding the fragrance chemical space for virtual screening. J. Cheminformatics 6 (1) (2014)
Mahendra Awale, Jean-Louis Reymond
A multi-fingerprint browser for the ZINC database. Nucleic Acids Res. 42 (Webserver-Issue) (2014)
Tina M. Kouri, Mahendra Awale, James K. Slyby, Jean-Louis Reymond, Dinesh P. Mehta
"Social" Network of Isomers Based on Bond Count Distance: Algorithms. J. Chem. Inf. Model. 54 (1) (2014)
Julian Schwartz, Mahendra Awale, Jean-Louis Reymond
SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules. J. Chem. Inf. Model. 53 (8) (2013)
Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond
MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13. J. Chem. Inf. Model. 53 (2) (2013)