G2GT: Retrosynthesis Prediction with Graph-to-Graph Attention Neural Network and Self-Training
Author:
Affiliation:
1. Stone Wise, Room 918, Eighth Floor, Building 1, No. 6 Danling Street, Haidian District, Beijing, China 100089
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.2c01302
Reference37 articles.
1. Computer-Assisted Analysis in Organic Synthesis
2. Route Designer: A Retrosynthetic Analysis Tool Utilizing Automated Retrosynthetic Rule Generation
3. Prediction of Organic Reaction Outcomes Using Machine Learning
4. Automatic reaction mapping and reaction center detection
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2. Retrosynthesis prediction with an interpretable deep-learning framework based on molecular assembly tasks;Nature Communications;2023-10-03
3. Open-Source Machine Learning in Computational Chemistry;Journal of Chemical Information and Modeling;2023-07-19
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