DeepSPInN–deep reinforcement learning for molecular structure prediction from infrared and 13 C NMR spectra S Devata, B Sridharan, S Mehta, Y Pathak, S Laghuvarapu, G Varma, ... Digital Discovery 3 (4), 818-829, 2024 | 10 | 2024 |
Generative artificial intelligence for small molecule drug design GC Kanakala, S Devata, P Chatterjee, UD Priyakumar Current Opinion in Biotechnology 89, 103175, 2024 | 3 | 2024 |
Comparative evaluation of electron ionization mass spectral prediction methods S Devata, HJ Cleaves, J Dimandja, CA Heist, M Meringer Journal of the American Society for Mass Spectrometry 34 (8), 1584-1592, 2023 | 2 | 2023 |
Crewed Missions to Mars: Modeling the Impact of Astrophysical Charged Particles on Astronauts and Assessing Health Effects D Atri, C MacArthur, S Devata, S Mathur, GC Bassani, R Parisi, D Gakis, ... arXiv preprint arXiv:2208.00892, 2022 | 1 | 2022 |
Rethinking Structure Prediction in Computational Chemistry: The Role of Machine Learning in Replacing Database Searches S Devata International Institute of Information Technology Hyderabad, 2024 | | 2024 |
TorRNA-Improved Prediction of Backbone Torsion Angles of RNA by Leveraging Large Language Models S Devata, D Priyakumar | | 2024 |