Published September 5, 2023
| Version 1.0
Journal article
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Data for "An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification"
Description
The data used to train EC class prediction models in "An explainability framework for deep learning on chemical reactions exemplified by enzyme-catalysed reaction classification".
The original sources of the data are:
- https://github.com/rxn4chemistry/biocatalysis-model
- https://www.rhea-db.org/
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