Reply to Comment on ‘Physics-based representations for machine learning properties of chemical reactions’
Recently, we published an article in this journal that explored physics-based representations in combination with kernel models for predicting reaction properties (i.e. TS barrier heights). In an anonymous comment on our contribution, the authors argue, amongst other points, that deep learning model...
| Published in: | Machine Learning: Science and Technology |
|---|---|
| Main Authors: | , , , |
| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2023-01-01
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| Subjects: | |
| Online Access: | https://doi.org/10.1088/2632-2153/acee43 |