<p>Contains data associated to publication: Organic Reaction Mechanism Classification with Machine Learning<br>
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<p>- Trained AI full model</p>
<p>- Trained AI reduced models<br>
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<p>- python files to run predictions</p>
<p>- python files to train model</p>
<p>- template for inputing kinetics for predictions</p>
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<p>- data used in case studies</p>
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<p>Unpack data file and follow instructions in publication's Supporting Information<br>
</p>
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Funding
New Horizons in C–H Activation: the ‘Real-World Molecules’ Challenge