A systematic study of key elements underlying molecular property prediction
Abstract Artificial intelligence (AI) has been widely applied in drug discovery with a major task as molecular property prediction. Despite booming techniques in molecular representation learning, key elements underlying molecular property prediction remain largely unexplored, which impedes further...
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| Principais autores: | , , , , , |
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| Formato: | Artigo |
| Idioma: | Inglês |
| Publicado em: |
Nature Portfolio
2023-10-01
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| coleção: | Nature Communications |
| Acesso em linha: | https://doi.org/10.1038/s41467-023-41948-6 |
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