Trained AI model and associated files
Version 2 2023-01-25, 16:02
Version 1 2022-12-20, 15:22
dataset
posted on 2022-12-20, 15:22 authored by Igor LarrosaIgor LarrosaContains 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
Funding
New Horizons in C–H Activation: the ‘Real-World Molecules’ Challenge
European Research Council
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