DeepSAT: Learning Molecular Structures from Nuclear Magnetic Resonance Data

The identification of molecular structure is essential for understanding chemical diversity and for developing drug leads from small molecules. Nevertheless, the structure elucidation of small molecules by Nuclear Magnetic Resonance (NMR) experiments is often a long and non-trivial process that reli...

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Detalles Bibliográficos
Autores principales: Kim, Hyun Woo, Zhang, Chen, Reher, Raphael, Wang, Mingxun, Alexander, Kelsey L., Nothias, Louis-Félix, Han, Yoo Kyong, Shin, Hyeji, Lee, Ki Yong, Lee, Kyu Hyeong, Kim, Myeong Ji, Dorrestein, Pieter C., Gerwick, William H., Cottrell, Garrison W.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Software
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10406729/
https://www.ncbi.nlm.nih.gov/pubmed/37550756
http://dx.doi.org/10.1186/s13321-023-00738-4

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