Intelligent generation of optimal synthetic pathways based on knowledge graph inference and retrosynthetic predictions using reaction big data

Title
Intelligent generation of optimal synthetic pathways based on knowledge graph inference and retrosynthetic predictions using reaction big data
Authors
Keywords
Chemical reaction big data, Synthetic path generation, Knowledge base inference, Decision support system, Knowledge graph, ML-based retrosynthetic prediction
Publisher
Elsevier BV
Online
2021-08-01
DOI
10.1016/j.jtice.2021.07.015

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