Mahendra Awale

Orcid: 0000-0002-0611-6552

According to our database1, Mahendra Awale authored at least 19 papers between 2013 and 2021.

Collaborative distances:
  • Dijkstra number2 of five.
  • Erdős number3 of four.

Timeline

Legend:

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PhD thesis 
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Links

On csauthors.net:

Bibliography

2021
The Playbooks of Medicinal Chemistry Design Moves.
J. Chem. Inf. Model., 2021

2020
Matched Molecular Series Analysis for ADME Property Prediction.
J. Chem. Inf. Model., 2020

2019
Drug Analogs from Fragment-Based Long Short-Term Memory Generative Neural Networks.
J. Chem. Inf. Model., 2019

Polypharmacology Browser PPB2: Target Prediction Combining Nearest Neighbors with Machine Learning.
J. Chem. Inf. Model., 2019

2017
Virtual Exploration of the Ring Systems Chemical Universe.
J. Chem. Inf. Model., November, 2017

Medicinal and Biological Chemistry (MBC) Library: An Efficient Source of New Hits.
J. Chem. Inf. Model., September, 2017

Fragment Database FDB-17.
J. Chem. Inf. Model., 2017

WebMolCS: A Web-Based Interface for Visualizing Molecules in Three-Dimensional Chemical Spaces.
J. Chem. Inf. Model., 2017

The polypharmacology browser: a web-based multi-fingerprint target prediction tool using ChEMBL bioactivity data.
J. Cheminformatics, 2017

2016
Web-based 3D-visualization of the DrugBank chemical space.
J. Cheminformatics, 2016

2015
Similarity Mapplet: Interactive Visualization of the Directory of Useful Decoys and ChEMBL in High Dimensional Chemical Spaces.
J. Chem. Inf. Model., 2015

Stereoselective virtual screening of the ZINC database using atom pair 3D-fingerprints.
J. Cheminformatics, 2015

PDB-Explorer: a web-based interactive map of the protein data bank in shape space.
BMC Bioinform., 2015

2014
A multi-fingerprint browser for the ZINC database.
Nucleic Acids Res., 2014

"Social" Network of Isomers Based on Bond Count Distance: Algorithms.
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.
J. Chem. Inf. Model., 2014

Expanding the fragrance chemical space for virtual screening.
J. Cheminformatics, 2014

2013
SMIfp (SMILES fingerprint) Chemical Space for Virtual Screening and Visualization of Large Databases of Organic Molecules.
J. Chem. Inf. Model., 2013

MQN-Mapplet: Visualization of Chemical Space with Interactive Maps of DrugBank, ChEMBL, PubChem, GDB-11, and GDB-13.
J. Chem. Inf. Model., 2013


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