Vishwesh Venkatraman

According to our database, Vishwesh Venkatraman authored at least 21 papers between 2004 and 2021.

Collaborative distances:

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

2021

FP-ADMET: a compendium of fingerprint-based ADMET prediction models.

Vishwesh Venkatraman

J. Cheminformatics, 2021

2020

An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides.

Vishwesh Venkatraman, Kallidanthiyil Chellappan Lethesh

Data, 2020

2019

DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules.

Marco Foscato, Vishwesh Venkatraman, Vidar R. Jensen

J. Chem. Inf. Model., 2019

The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents.

Vishwesh Venkatraman, Sigvart Evjen, Kallidanthiyil Chellappan Lethesh

Data, 2019

2018

The dye-sensitized solar cell database.

Vishwesh Venkatraman, Rajesh Raju, Solon P. Oikonomopoulos, Bjørn K. Alsberg

J. Cheminformatics, 2018

2014

Automated Building of Organometallic Complexes from 3D Fragments.

Marco Foscato, Vishwesh Venkatraman, Giovanni Occhipinti, Bjørn K. Alsberg, Vidar R. Jensen

J. Chem. Inf. Model., 2014

Automated Design of Realistic Organometallic Molecules from Fragments.

Marco Foscato, Giovanni Occhipinti, Vishwesh Venkatraman, Bjørn K. Alsberg, Vidar R. Jensen

J. Chem. Inf. Model., 2014

Quantitative structure-property relationship modeling of Grätzel solar cell dyes.

Vishwesh Venkatraman, Per-Olof Åstrand, Bjørn Kåre Alsberg

J. Comput. Chem., 2014

2012

Detecting Drug Promiscuity Using Gaussian Ensemble Screening.

Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie

J. Chem. Inf. Model., 2012

Predicting Multi-Component Protein Assemblies Using an Ant Colony Approach.

Vishwesh Venkatraman, David W. Ritchie

Int. J. Swarm Intell. Res., 2012

Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity.

David W. Ritchie, Anisah W. Ghoorah, Lazaros Mavridis, Vishwesh Venkatraman

Bioinform., 2012

2011

Predicting drug polypharmacology using a novel surface property similarity-based approach.

Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie

J. Cheminformatics, 2011

2010

HexServer: an FFT-based protein docking server powered by graphics processors.

Gary Macindoe, Lazaros Mavridis, Vishwesh Venkatraman, Marie-Dominique Devignes, David W. Ritchie

Nucleic Acids Res., 2010

Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods.

Vishwesh Venkatraman, Violeta I. Pérez-Nueno, Lazaros Mavridis, David W. Ritchie

J. Chem. Inf. Model., 2010

Ultra-fast FFT protein docking on graphics processors.

David W. Ritchie, Vishwesh Venkatraman

Bioinform., 2010

Using Graphics Processors to Accelerate Protein Docking Calculations.

David W. Ritchie, Vishwesh Venkatraman, Lazaros Mavridis

Proceedings of the Healthgrid Applications and Core Technologies, 2010

SHREC'10 Track: Protein Model Classification.

Lazaros Mavridis, Vishwesh Venkatraman, David W. Ritchie, Naoto Morikawa, Rumen Andonov, Alexandre Cornu, Noël Malod-Dognin, Jacques Nicolas, Maja Temerinac-Ott, Marco Reisert, Hans Burkhardt, Apostolos Axenopoulos, Petros Daras

Proceedings of the 3rd Eurographics Workshop on 3D Object Retrieval, 2010

2009

Application of 3D Zernike descriptors to shape-based ligand similarity searching.

Vishwesh Venkatraman, Padmasini Chakravarthy, Daisuke Kihara

J. Cheminformatics, 2009

Protein-protein docking using region-based 3D Zernike descriptors.

Vishwesh Venkatraman, Yifeng D. Yang, Lee Sael, Daisuke Kihara

BMC Bioinform., 2009

3D-SURFER: software for high-throughput protein surface comparison and analysis.

David La, Juan Esquivel-Rodríguez, Vishwesh Venkatraman, Bin Li, Lee Sael, Stephen Ueng, Steven Ahrendt, Daisuke Kihara

Bioinform., 2009

2004

Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR.

Vishwesh Venkatraman, Andrew R. Dalby, Zheng Rong Yang

J. Chem. Inf. Model., 2004