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Transformer-based Chemical Reaction Prediction and Synthesis Planning

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If you have a question about this talk, please contact Bingqing Cheng .

Artificial intelligence is currently revolutionising chemical research. Particularly in automated synthesis, modern natural language processing technologies have achieved unprecedented results on tasks like reaction prediction and synthesis planning.

During my talk, I will give an overview of current reaction prediction approaches and present the techniques used on the IBM RXN for Chemistry platform (https://rxn.res.ibm.com) for ML-assisted synthesis planning.

This talk is part of the Machine learning in Physics, Chemistry and Materials discussion group (MLDG) series.

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