CNN-based two-branch multi-scale feature extraction network for retrosynthesis prediction

Abstract Background Retrosynthesis prediction is the task of deducing reactants from reaction products, which is of great importance for designing the synthesis routes of the target products. The product molecules are generally represented with some descriptors such as simplified molecular input lin...

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Detalles Bibliográficos

Principais autores:	Feng Yang, Juan Liu, Qiang Zhang, Zhihui Yang, Xiaolei Zhang
Formato:	Artigo
Idioma:	Inglês
Publicado:	BMC 2022-09-01
Series:	BMC Bioinformatics
Assuntos:	Retrosynthesis prediction Convolutional neural network Machine learning Multi-scale features
Acceso en liña:	https://doi.org/10.1186/s12859-022-04904-7
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