Data of "Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning"
| Main Authors: | Roet, Sander, Daub, Christopher D, Riccardi, Enrico |
|---|---|
| Format: | info dataset Journal |
| Bahasa: | eng |
| Terbitan: |
, 2021
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| Subjects: | |
| Online Access: |
https://zenodo.org/record/5565039 |
Daftar Isi:
- This is the data and assosiated in-house code for the paper: Chemistrees: Data-Driven Identification of Reaction Pathways via Machine Learning Sander Roet, Christopher D. Daub, and Enrico Riccardi Journal of Chemical Theory and Computation 2021 17 (10), 6193-6202 DOI: 10.1021/acs.jctc.1c00458