Enhanced Template-Free Reaction Prediction with Molecular Graphs and Sequence-based Data Augmentation
Author:
Affiliation:
1. Southwest Jiaotong University, Chengdu, China
2. George Mason University, Fairfax, USA
Funder
Fundamental Research Funds for the Central Universities
National Natural Science Foundation of China
Publisher
ACM
Link
https://dl.acm.org/doi/pdf/10.1145/3583780.3614865
Reference44 articles.
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4. Machine Learning in Computer-Aided Synthesis Planning
5. Computer-Assisted Retrosynthesis Based on Molecular Similarity
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