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SyntaLinker: automatic fragment linking with deep conditional transformer neural networks

Linking fragments to generate a focused compound library for a specific drug target is one of the challenges in fragment-based drug design (FBDD). Hereby, we propose a new program named SyntaLinker, which is based on a syntactic pattern recognition approach using deep conditional transformer neural...

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Detalles Bibliográficos
Autores principales: Yang, Yuyao, Zheng, Shuangjia, Su, Shimin, Zhao, Chao, Xu, Jun, Chen, Hongming
Formato: Online Artículo Texto
Lenguaje:English
Publicado: The Royal Society of Chemistry 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8163338/
https://www.ncbi.nlm.nih.gov/pubmed/34123096
http://dx.doi.org/10.1039/d0sc03126g