Mahendra Awale

According to our database, Mahendra Awale authored at least 19 papers between 2013 and 2021.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2021

The Playbooks of Medicinal Chemistry Design Moves.

Mahendra Awale, Jérôme Hert, Laura Guasch, Sereina Riniker, Christian Kramer

J. Chem. Inf. Model., 2021

2020

Matched Molecular Series Analysis for ADME Property Prediction.

Mahendra Awale, Sereina Riniker, Christian Kramer

J. Chem. Inf. Model., 2020

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

Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning.

Mahendra Awale, Jean-Louis Reymond

J. Chem. Inf. Model., 2019

2017

Virtual Exploration of the Ring Systems Chemical Universe.

Ricardo Visini, Josep Arús-Pous, Mahendra Awale, Jean-Louis Reymond

J. Chem. Inf. Model., November, 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., September, 2017

Fragment Database FDB-17.

Ricardo Visini, Mahendra Awale, Jean-Louis Reymond

J. Chem. Inf. Model., 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

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data.

Mahendra Awale, Jean-Louis Reymond

J. Cheminformatics, 2017

2016

Web-based 3D-visualization of the DrugBank chemical space.

Mahendra Awale, Jean-Louis Reymond

J. Cheminformatics, 2016

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

Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.

Mahendra Awale, Xian Jin, Jean-Louis Reymond

J. Cheminformatics, 2015

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

2014

A multi-fingerprint browser for the ZINC database.

Mahendra Awale, Jean-Louis Reymond

Nucleic Acids Res., 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

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

Expanding the fragrance chemical space for virtual screening.

Lars Ruddigkeit, Mahendra Awale, Jean-Louis Reymond

J. Cheminformatics, 2014

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

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