Vishwesh Venkatraman

Norwegian University of Science and Technology — Norway

Computer Science · Physical Sciences

31h-index3.6kcitations95works2.22yr avg
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Research Topics

Computational Drug Discovery Methods(26), Protein Structure and Dynamics(20), Machine Learning in Materials Science(13), Ionic liquids properties and applications(12), Enzyme Structure and Function(10)

Publications95 total

The Area Law of Molecular Entropy: Moving beyond Harmonic Approximation
Entropy·2024Open Access
Do Molecular Fingerprints Identify Diverse Active Drugs in Large-Scale Virtual Screening? (No)
Pharmaceuticals·2024· 8 citedOpen Access
Accurate space-group prediction from composition
Journal of Applied Crystallography·2024· 3 citedOpen Access
The Area-law of Molecular Entropy: Moving Beyond Harmonic Approximation
2024Open Access
The Area-law of Molecular Entropy: Moving beyond Harmonic Approximation
2024
A community effort in SARS‐CoV‐2 drug discovery
Molecular Informatics·2023· 17 citedOpen Access
FP-MAP: an extensive library of fingerprint-based molecular activity prediction tools
Frontiers in Chemistry·2023· 6 citedOpen Access
Analysis of photocurrent trends in hybrid PS-BiI3 composites for direct X-ray detector via linear regression model
Composites Communications·2023
A community effort to discover small molecule SARS-CoV-2 inhibitors
2023· 1 citedOpen Access
Do molecular fingerprints identify diverse active drugs in large-scale virtual screening? (no)
2022· 1 citedOpen Access
On the value of popular crystallographic databases for machine learning prediction of space groups
Acta Materialia·2022· 12 citedOpen Access
Drugsniffer: An Open Source Workflow for Virtually Screening Billions of Molecules for Binding Affinity to Protein Targets
Frontiers in Pharmacology·2022· 14 citedOpen Access
Occurrence of bisphenols and benzophenone UV filters in wild brown mussels (Perna perna) from Algoa Bay in South Africa
The Science of The Total Environment·2021· 30 citedOpen Access
Systematic assessment of salivary inflammatory markers and dental caries in children: an exploratory study
Acta Odontologica Scandinavica·2021· 11 citedOpen Access
Tversky Similarity based UnderSampling with Gaussian Kernelized Decision Stump Adaboost Algorithm for Imbalanced Medical Data Classification
International Journal of Computers Communications & Control·2021· 5 citedOpen Access
Multi-Fingerprint Dataset
Zenodo (CERN European Organization for Nuclear Research)·2021Open Access
Multi-Fingerprint Dataset
2021Open Access
FP-ADMET: a compendium of fingerprint-based ADMET prediction models
Journal of Cheminformatics·2021· 109 citedOpen Access
Fast and Accurate Estimation of Gas-Phase Entropy from the Molecular Surface Curvature
2021Open Access
The utility of composition-based machine learning models for band gap prediction
Computational Materials Science·2021· 19 citedOpen Access
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Frequent Co-authors

Bjørn K. Alsberg(14), David W. Ritchie(8), Kallidanthiyil Chellappan Lethesh(8), Sigvart Evjen(6), Anne Fiksdahl(6), Lazaros Mavridis(5), Marco Foscato(5), Vidar R. Jensen(5), Daisuke Kihara(4), Lee Sael(3), Violeta I. Pérez‐Nueno(3), Susana Villa González(3), Alexandros G. Asimakopoulos(3), Jaganathan Joshua Raj(3), Hanna K. Knuutila(2), Kristine Vike-Jonas(2), Giovanni Occhipinti(2), Conner Copeland(2), Jeremiah Gaiser(2), Daniel R. Olson(2)