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Sarvesh Mehta
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Chemically interpretable graph interaction network for prediction of pharmacokinetic properties of drug-like molecules
Y Pathak, S Laghuvarapu, S Mehta, UD Priyakumar
Proceedings of the AAAI Conference on Artificial Intelligence 34 (01), 873-880, 2020
432020
Memes: Machine learning framework for enhanced molecular screening
S Mehta, S Laghuvarapu, Y Pathak, A Sethi, M Alvala, UD Priyakumar
Chemical science 12 (35), 11710-11721, 2021
342021
Learning atomic interactions through solvation free energy prediction using graph neural networks
Y Pathak, S Mehta, UD Priyakumar
Journal of Chemical Information and Modeling 61 (2), 689-698, 2021
272021
Deep reinforcement learning for molecular inverse problem of nuclear magnetic resonance spectra to molecular structure
B Sridharan, S Mehta, Y Pathak, UD Priyakumar
The Journal of Physical Chemistry Letters 13 (22), 4924-4933, 2022
122022
PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
DNUDP Divya B. Korlepara, C. S. Vasavi, Shruti Jeurkar, Pradeep Kumar Pal ...
Scientific Data 9, 2022
112022
MO-MEMES: A method for accelerating virtual screening using multi-objective Bayesian optimization
S Mehta, M Goel, U Priyakumar
Frontiers in Medicine 9, 916481, 2022
32022
DeepSPInN-multimodal Deep learning for molecular Structure Prediction from Infrared and NMR spectra
S Devata, B Sridharan, S Mehta, Y Pathak, S Laghuvarapu, G Varma, ...
12023
Spectra to Structure: Deep Reinforcement Learning for Molecular Inverse Problem
B Sridharan, S Mehta, Y Pathak, UD Priyakumar
12021
VisDrone-DET2020: The Vision Meets Drone Object Detection in Image Challenge Results
Computer Vision -- ECCV 2020 Workshops, 692--712, 2020
1*2020
DeepSPInN-Deep reinforcement learning for molecular Structure Prediction from Infrared and 13C NMR spectra
S Devata, B Sridharan, S Mehta, Y Pathak, S Laghuvarapu, G Varma, ...
Digital Discovery, 2024
2024
MolOpt: Autonomous Molecular Geometry Optimization Using Multiagent Reinforcement Learning
R Modee, S Mehta, S Laghuvarapu, UD Priyakumar
The Journal of Physical Chemistry B 127 (48), 10295-10303, 2023
2023
System and method for exploring chemical space during molecular design using a machine learning model
UD Priyakumar, S Mehta, S Laghuvarapu, Y Pathak
US Patent App. 17/526,712, 2022
2022
Supplementary Information for: PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications
DB Korlepara, CS Vasavi, S Jeurkar, PK Pal, S Roy, S Mehta, S Sharma, ...
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