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Molecular Generative Model via Retrosynthetically Prepared Chemical Building Block Assembly

Deep generative models are attracting attention as a smart molecular design strategy. However, previous models often render molecules with low synthesizability, hindering their real‐world applications. Here, a novel graph‐based conditional generative model which makes molecules by tailoring retrosyn...

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Detalles Bibliográficos
Autores principales: Seo, Seonghwan, Lim, Jaechang, Kim, Woo Youn
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2023
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC10015872/
https://www.ncbi.nlm.nih.gov/pubmed/36596675
http://dx.doi.org/10.1002/advs.202206674