DeepSPInN – Deep reinforcement finding out for molecular Construction Prediction from Infrared and 13C NMR spectra

Digital Discovery, 2024, Accepted Manuscript
DOI: 10.1039/D4DD00008K, Paper

Open Access

&nbsp This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence.

Sriram Devata, Bhuvanesh Sridharan, Sarvesh Mehta, Yashaswi Pathak, Siddhartha Laghuvarapu, Girish Varma, U. Deva Priyakumar
Molecular spectroscopy studies the interaction of molecules with electromagnetic radiation, and interpreting the resultant spectra is invaluable for deducing the molecular structures. However, predicting the molecular structure from spectroscopic data…
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