Prediction of Compound Synthesis Accessibility Based on Reaction Knowledge Graph

With the increasing application of deep-learning-based generative models for de novo molecule design, the quantitative estimation of molecular synthetic accessibility (SA) has become a crucial factor for prioritizing the structures generated from generative models. It is also useful for helping in t...

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Detalles Bibliográficos
Autores principales: Li, Baiqing, Chen, Hongming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2022
Materias:
Article
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8838603/
https://www.ncbi.nlm.nih.gov/pubmed/35164303
http://dx.doi.org/10.3390/molecules27031039

Internet

https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8838603/
https://www.ncbi.nlm.nih.gov/pubmed/35164303
http://dx.doi.org/10.3390/molecules27031039

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