Learning Hierarchical Representations for Explainable Chemical Reaction Prediction
This paper aims to propose an explainable and generalized chemical reaction representation method for accelerating the evaluation of the chemical processes in production. To this end, we designed an explainable coarse-fine level representation model that incorporates a small amount of easily availab...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
MDPI
2023
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| Subjects: | |
| Online Access: | View Fulltext in Publisher View in Scopus |