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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Bibliografiske detaljer

Principais autores:	Feng Yang, Juan Liu, Qiang Zhang, Zhihui Yang, Xiaolei Zhang
Format:	Artigo
Sprog:	Inglês
Udgivet:	BMC 2022-09-01
Serier:	BMC Bioinformatics
Fag:	Retrosynthesis prediction Convolutional neural network Machine learning Multi-scale features
Online adgang:	https://doi.org/10.1186/s12859-022-04904-7
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