Mahendra Awale

19 papers Journal 19
YearRankTypeTitle / Venue / Authors
2021 J jnl
The Playbooks of Medicinal Chemistry Design Moves.
J. Chem. Inf. Model.
Mahendra Awale, Jérôme Hert, Laura Guasch, Sereina Riniker, Christian Kramer
2020 J jnl
Matched Molecular Series Analysis for ADME Property Prediction.
J. Chem. Inf. Model.
Mahendra Awale, Sereina Riniker, Christian Kramer
2019 J jnl
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks.
J. Chem. Inf. Model.
Mahendra Awale, Finton Sirockin, Nikolaus Stiefl, Jean-Louis Reymond
2019 J jnl
Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning.
J. Chem. Inf. Model.
Mahendra Awale, Jean-Louis Reymond
2017 J jnl
Fragment Database FDB-17.
J. Chem. Inf. Model.
Ricardo Visini, Mahendra Awale, Jean-Louis Reymond
2017 J jnl
Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.
J. Chem. Inf. Model.
Víctor Sebastián-Pérez, Carlos Roca, Mahendra Awale, Jean-Louis Reymond, Ana Martínez, Carmen Gil, Nuria E. Campillo
2017 J jnl
The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data.
J. Cheminformatics
Mahendra Awale, Jean-Louis Reymond
2017 J jnl
Virtual Exploration of the Ring Systems Chemical Universe.
J. Chem. Inf. Model.
Ricardo Visini, Josep Arús-Pous, Mahendra Awale, Jean-Louis Reymond
2017 J jnl
WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces.
J. Chem. Inf. Model.
Mahendra Awale, Daniel Probst, Jean-Louis Reymond
2016 J jnl
Web-based 3D-visualization of the DrugBank chemical space.
J. Cheminformatics
Mahendra Awale, Jean-Louis Reymond
2015 J jnl
PDB-Explorer: a web-based interactive map of the protein data bank in shape space.
BMC Bioinform.
Xian Jin, Mahendra Awale, Michaël Zasso, Daniel Kostro, Luc Patiny, Jean-Louis Reymond
2015 J jnl
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces.
J. Chem. Inf. Model.
Mahendra Awale, Jean-Louis Reymond
2015 J jnl
Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.
J. Cheminformatics
Mahendra Awale, Xian Jin, Jean-Louis Reymond
2014 J jnl
"Social" Network of Isomers Based on Bond Count Distance: Algorithms.
J. Chem. Inf. Model.
Tina M. Kouri, Mahendra Awale, James K. Slyby, Jean-Louis Reymond, Dinesh P. Mehta
2014 J jnl
A multi-fingerprint browser for the ZINC database.
Nucleic Acids Res.
Mahendra Awale, Jean-Louis Reymond
2014 J jnl
Atom Pair 2D-Fingerprints Perceive 3D-Molecular Shape and Pharmacophores for Very Fast Virtual Screening of ZINC and GDB-17.
J. Chem. Inf. Model.
Mahendra Awale, Jean-Louis Reymond
2014 J jnl
Expanding the fragrance chemical space for virtual screening.
J. Cheminformatics
Lars Ruddigkeit, Mahendra Awale, Jean-Louis Reymond
2013 J jnl
MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.
J. Chem. Inf. Model.
Mahendra Awale, Ruud van Deursen, Jean-Louis Reymond
2013 J jnl
SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules.
J. Chem. Inf. Model.
Julian Schwartz, Mahendra Awale, Jean-Louis Reymond