Vishwesh Venkatraman

Publication Activity (10 Years)

Years Active: 2004-2021
Publications (10 Years): 5

Top Topics

Automated Design

Akaike Information Criterion

Top Venues

J. Chem. Inf. Model.

J. Cheminformatics

Publications

Vishwesh Venkatraman
FP-ADMET: a compendium of fingerprint-based ADMET prediction models. J. Cheminformatics 13 (1) (2021)
Vishwesh Venkatraman, Kallidanthiyil Chellappan Lethesh
An Open Access Data Set Highlighting Aggregation of Dyes on Metal Oxides. Data 5 (2) (2020)
Marco Foscato, Vishwesh Venkatraman, Vidar R. Jensen
DENOPTIM: Software for Computational de Novo Design of Organic and Inorganic Molecules. J. Chem. Inf. Model. 59 (10) (2019)
Vishwesh Venkatraman, Sigvart Evjen, Kallidanthiyil Chellappan Lethesh
The Ionic Liquid Property Explorer: An Extensive Library of Task-Specific Solvents. Data 4 (2) (2019)
Vishwesh Venkatraman, Rajesh Raju, Solon P. Oikonomopoulos, Bjørn K. Alsberg
The dye-sensitized solar cell database. J. Cheminformatics 10 (1) (2018)
Vishwesh Venkatraman, Per-Olof Åstrand, Bjørn Kåre Alsberg
Quantitative structure-property relationship modeling of Grätzel solar cell dyes. J. Comput. Chem. 35 (3) (2014)
Marco Foscato, Vishwesh Venkatraman, Giovanni Occhipinti, Bjørn K. Alsberg, Vidar R. Jensen
Automated Building of Organometallic Complexes from 3D Fragments. J. Chem. Inf. Model. 54 (7) (2014)
Marco Foscato, Giovanni Occhipinti, Vishwesh Venkatraman, Bjørn K. Alsberg, Vidar R. Jensen
Automated Design of Realistic Organometallic Molecules from Fragments. J. Chem. Inf. Model. 54 (3) (2014)
Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie
Detecting Drug Promiscuity Using Gaussian Ensemble Screening. J. Chem. Inf. Model. 52 (8) (2012)
David W. Ritchie, Anisah W. Ghoorah, Lazaros Mavridis, Vishwesh Venkatraman
Fast protein structure alignment using Gaussian overlap scoring of backbone peptide fragment similarity. Bioinform. 28 (24) (2012)
Vishwesh Venkatraman, David W. Ritchie
Predicting Multi-Component Protein Assemblies Using an Ant Colony Approach. Int. J. Swarm Intell. Res. 3 (3) (2012)
Violeta I. Pérez-Nueno, Vishwesh Venkatraman, Lazaros Mavridis, David W. Ritchie
Predicting drug polypharmacology using a novel surface property similarity-based approach. J. Cheminformatics 3 (S-1) (2011)
Vishwesh Venkatraman, Violeta I. Pérez-Nueno, Lazaros Mavridis, David W. Ritchie
Comprehensive Comparison of Ligand-Based Virtual Screening Tools Against the DUD Data set Reveals Limitations of Current 3D Methods. J. Chem. Inf. Model. 50 (12) (2010)
David W. Ritchie, Vishwesh Venkatraman, Lazaros Mavridis
Using Graphics Processors to Accelerate Protein Docking Calculations. HealthGrid (2010)
David W. Ritchie, Vishwesh Venkatraman
Ultra-fast FFT protein docking on graphics processors. Bioinform. 26 (19) (2010)
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
SHREC'10 Track: Protein Model Classification. 3DOR@Eurographics (2010)
Gary Macindoe, Lazaros Mavridis, Vishwesh Venkatraman, Marie-Dominique Devignes, David W. Ritchie
HexServer: an FFT-based protein docking server powered by graphics processors. Nucleic Acids Res. 38 (Web-Server-Issue) (2010)
Vishwesh Venkatraman, Padmasini Chakravarthy, Daisuke Kihara
Application of 3D Zernike descriptors to shape-based ligand similarity searching. J. Cheminformatics 1 (2009)
David La, Juan Esquivel-Rodríguez, Vishwesh Venkatraman, Bin Li, Lee Sael, Stephen Ueng, Steven Ahrendt, Daisuke Kihara
3D-SURFER: software for high-throughput protein surface comparison and analysis. Bioinform. 25 (21) (2009)
Vishwesh Venkatraman, Yifeng D. Yang, Lee Sael, Daisuke Kihara
Protein-protein docking using region-based 3D Zernike descriptors. BMC Bioinform. 10 (2009)
Vishwesh Venkatraman, Andrew R. Dalby, Zheng Rong Yang
Evaluation of Mutual Information and Genetic Programming for Feature Selection in QSAR. J. Chem. Inf. Model. 44 (5) (2004)