Research output per year
Research output per year
Description
Contains data associated to publication: Organic Reaction Mechanism Classification with Machine Learning
- Trained AI full model
- Trained AI reduced models
- python files to run predictions
- python files to train model
- template for inputing kinetics for predictions
- data used in case studies Unpack data file and follow instructions in publication's Supporting Information
- Trained AI full model
- Trained AI reduced models
- python files to run predictions
- python files to train model
- template for inputing kinetics for predictions
- data used in case studies Unpack data file and follow instructions in publication's Supporting Information
| Date made available | 25 Jan 2023 |
|---|---|
| Publisher | University of Manchester Figshare |
Keywords
- Physical Organic Chemistry
- catalysis chemistry
- kinetic analysis
- kinetic data
- physical organic chemistry
Research output
- 1 Article
-
Organic reaction mechanism classification using machine learning
Bures, J. & Larrosa, I., 26 Jan 2023, In: Nature.. 613, p. 689–695Research output: Contribution to journal › Article › peer-review
Open AccessFile552 Downloads (Pure)