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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...
Autores principales: | , , , , , , , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
Springer International Publishing
2023
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Materias: | |
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 |