7 citations · 12 across the 7 of their papers we have counts for
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cs.LG2023★ 3 cited
AI for Interpretable Chemistry: Predicting Radical Mechanistic Pathways via Contrastive Learning
Mohammadamin Tavakoli, Yin Ting T. Chiu, Alexander Shmakov +3
Deep learning-based reaction predictors have undergone significant architectural evolution. However, their reliance on reactions from the US Patent Office results in a lack of inte…
cs.LG2022★ 7 cited
Rxn Hypergraph: a Hypergraph Attention Model for Chemical Reaction Representation
Mohammadamin Tavakoli, Alexander Shmakov, Francesco Ceccarelli +1
It is fundamental for science and technology to be able to predict chemical reactions and their properties. To achieve such skills, it is important to develop good representations…