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DeepSA: a deep-learning driven predictor of compound synthesis accessibility

With the continuous development of artificial intelligence technology, more and more computational models for generating new molecules are being developed. However, we are often confronted with the question of whether these compounds are easy or difficult to synthesize, which refers to synthetic acc...

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Detalles Bibliográficos
Autores principales: Wang, Shihang, Wang, Lin, Li, Fenglei, Bai, Fang
Formato: Online Artículo Texto
Lenguaje:English
Publicado: Springer International Publishing 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10621138/
https://www.ncbi.nlm.nih.gov/pubmed/37919805
http://dx.doi.org/10.1186/s13321-023-00771-3