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Mahendra Awale
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2020 – today
- 2021
- [j19]Mahendra Awale
, Jérôme Hert
The Playbooks of Medicinal Chemistry Design Moves. J. Chem. Inf. Model. 61(2): 729-742 (2021) - 2020
- [j18]Mahendra Awale
Matched Molecular Series Analysis for ADME Property Prediction. J. Chem. Inf. Model. 60(6): 2903-2914 (2020)
2010 – 2019
- 2019
- [j17]Mahendra Awale, Jean-Louis Reymond
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning. J. Chem. Inf. Model. 59(1): 10-17 (2019) - [j16]Mahendra Awale, Finton Sirockin
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks. J. Chem. Inf. Model. 59(4): 1347-1356 (2019) - 2017
- [j15]Mahendra Awale, Jean-Louis Reymond
The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data. J. Cheminformatics 9(1): 11:1-11:10 (2017) - [j14]Mahendra Awale, Daniel Probst
WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces. J. Chem. Inf. Model. 57(4): 643-649 (2017) - [j13]Ricardo Visini, Mahendra Awale, Jean-Louis Reymond
Fragment Database FDB-17. J. Chem. Inf. Model. 57(4): 700-709 (2017) - [j12]Víctor Sebastián-Pérez
Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits. J. Chem. Inf. Model. 57(9): 2143-2151 (2017) - [j11]Ricardo Visini, Josep Arús-Pous
Virtual Exploration of the Ring Systems Chemical Universe. J. Chem. Inf. Model. 57(11): 2707-2718 (2017) - 2016
- [j10]Mahendra Awale, Jean-Louis Reymond
Web-based 3D-visualization of the DrugBank chemical space. J. Cheminformatics 8(1): 25:1-25:8 (2016) - 2015
- [j9]Xian Jin, Mahendra Awale, Michaël Zasso, Daniel Kostro, Luc Patiny
PDB-Explorer: a web-based interactive map of the protein data bank in shape space. BMC Bioinform. 16: 339:1-339:15 (2015) - [j8]Mahendra Awale, Xian Jin, Jean-Louis Reymond
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints. J. Cheminformatics 7: 3 (2015) - [j7]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): 1509-1516 (2015) - 2014
- [j6]Lars Ruddigkeit, Mahendra Awale, Jean-Louis Reymond
Expanding the fragrance chemical space for virtual screening. J. Cheminformatics 6(1): 27 (2014) - [j5]Tina M. Kouri, Mahendra Awale, James K. Slyby, Jean-Louis Reymond
"Social" Network of Isomers Based on Bond Count Distance: Algorithms. J. Chem. Inf. Model. 54(1): 57-68 (2014) - [j4]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): 1892-1907 (2014) - [j3]Mahendra Awale, Jean-Louis Reymond
A multi-fingerprint browser for the ZINC database. Nucleic Acids Res. 42(Webserver-Issue): 234-239 (2014) - 2013
- [j2]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): 509-518 (2013) - [j1]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): 1979-1989 (2013)
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