University of Manchester
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Trained AI model and associated files

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posted on 2023-01-25, 16:02 authored by Igor LarrosaIgor Larrosa

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


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

European Research Council

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