Sarvesh Mehta

International Institute of Information Technology — India

Computer Science · Physical Sciences

9h-index511citations22works7.52yr avg
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Research Topics

Computational Drug Discovery Methods(16), Machine Learning in Materials Science(11), Various Chemistry Research Topics(5), Analytical Chemistry and Chromatography(4), Protein Structure and Dynamics(3)

Publications22 total

DeepSPInN - Deep reinforcement learning for molecular Structure Prediction from Infrared and 13C NMR spectra
2024· 2 citedOpen Access
DeepSPInN – deep reinforcement learning for molecular structure prediction from infrared and <sup>13</sup> C NMR spectra
Digital Discovery·2024· 13 citedOpen Access
MolOpt: Autonomous Molecular Geometry Optimization Using Multiagent Reinforcement Learning
The Journal of Physical Chemistry B·2023· 9 cited
DeepSPInN - multimodal Deep learning for molecular Structure Prediction from Infrared and NMR spectra
2023· 1 citedOpen Access
MolOpt: Autonomous Molecular Geometry Optimization using Multi-Agent Reinforcement Learning
2023· 1 citedOpen Access
MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization
Frontiers in Medicine·2022· 6 citedOpen Access
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
Scientific Data·2022· 25 citedOpen Access
Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure
The Journal of Physical Chemistry Letters·2022· 32 cited
Plas-5k dataset
Figshare·2022Open Access
Plas-5k Initial Structures
Figshare·2022Open Access
Spectra to Structure: Deep Reinforcement Learning for Molecular Inverse Problem
2021· 2 citedOpen Access
MEMES: Machine learning framework for Enhanced MolEcular Screening
2021Open Access
MEMES: Machine learning framework for Enhanced MolEcular Screening
2021Open Access
Enhanced Sampling of Chemical Space for High Throughput Screening Applications using Machine Learning
2021· 4 citedOpen Access
Enhanced Sampling of Chemical Space for High Throughput Screening Applications using Machine Learning
2021· 3 citedOpen Access
Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks
Journal of Chemical Information and Modeling·2021· 58 cited
MEMES: Machine learning framework for Enhanced MolEcular Screening
Chemical Science·2021· 38 citedOpen Access
Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules
Proceedings of the AAAI Conference on Artificial Intelligence·2020· 36 citedOpen Access
VisDrone-DET2020: The Vision Meets Drone Object Detection in Image Challenge Results
Lecture notes in computer science·2020· 264 cited
Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-like Molecules
2019· 3 citedOpen Access
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Frequent Co-authors

U. Deva Priyakumar(17), Siddhartha Laghuvarapu(14), Yashaswi Pathak(11), Bhuvanesh Sridharan(8), Aaftaab Sethi(5), Rohit Modee(5), Yashaswi Pathak(4), Mallika Alvala(3), Divya B. Korlepara(3), Shruti Jeurkar(3), Pradeep Kumar Pal(3), Subhajit Roy(3), Vishal Kumar(3), Charuvaka Muvva(3), Akshit Garg(3), Agastya P. Bhati(3), Divya Nayar(3), Sriram Devata(3), Girish Varma(3), Mallika Alvala(2)