Sarvesh Mehta

Learning Atomic Interactions through Solvation Free Energy Prediction Using Graph Neural Networks

Yashaswi Pathak, Sarvesh Mehta, U. Deva Priyakumar · Journal of Chemical Information and Modeling · 2021 · 61 citations

Natural Sciences, Chemistry, Medicinal Chemistry +17

MEMES: Machine learning framework for Enhanced MolEcular Screening

Sarvesh Mehta, Siddhartha Laghuvarapu, Yashaswi Pathak et al. · Chemical Science · 2021 · 38 citations · Full text

Pharmacy, Computer Science, Medicinal Chemistry +17

Chemically Interpretable Graph Interaction Network for Prediction of Pharmacokinetic Properties of Drug-Like Molecules

Yashaswi Pathak, Siddhartha Laghuvarapu, Sarvesh Mehta et al. · Proceedings of the AAAI Conference on Artificial Intelligence · 2020 · 37 citations · Full text

Pharmacy, Pharmacokinetics, Pharmacology +15

Deep Reinforcement Learning for Molecular Inverse Problem of Nuclear Magnetic Resonance Spectra to Molecular Structure

Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak et al. · The Journal of Physical Chemistry Letters · 2022 · 33 citations

Natural Sciences, Chemistry, Physics +17

PLAS-5k: Dataset of Protein-Ligand Affinities from Molecular Dynamics for Machine Learning Applications

Divya B. Korlepara, C. S. Vasavi, Shruti Jeurkar et al. · Scientific Data · 2022 · 25 citations · Full text

Pharmacy, Bioinformatics, Medicinal Chemistry +17