DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data

Hyun Woo Kim, Chen Zhang, Raphael Reher, Mingxun Wang 0001, Kelsey L. Alexander, Louis-FĂ©lix Nothias, Yoo Kyong Han, Hyeji Shin, Ki Yong Lee, Kyu Hyeong Lee, Myeong-Ji Kim, Pieter C. Dorrestein, William H. Gerwick, Garrison W. Cottrell. DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data. J. Cheminformatics, 15(1):71, December 2023. [doi]

Abstract

Abstract is missing.