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Trained AI model and associated files

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Version 2 2023-01-25, 16:02
Version 1 2022-12-20, 15:22
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posted on 2023-01-25, 16:02 authored by Igor LarrosaIgor Larrosa
<p>Contains data associated to publication: Organic Reaction Mechanism Classification with Machine Learning<br> </p> <p>- Trained AI full model</p> <p>- Trained AI reduced models<br> </p> <p>- python files to run predictions</p> <p>- python files to train model</p> <p>- template for inputing kinetics for predictions</p> <p><br></p> <p>- data used in case studies</p> <p><br></p> <p>Unpack data file and follow instructions in publication's Supporting Information<br> </p> <p><br></p>

Funding

New Horizons in C–H Activation: the ‘Real-World Molecules’ Challenge

European Research Council

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