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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...
| Autores principales: | , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
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MDPI
2022
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| 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 |