Search Results for author: Andrei Buin

Found 2 papers, 0 papers with code

De-novo Chemical Reaction Generation by Means of Temporal Convolutional Neural Networks

no code implementations26 Oct 2023 Andrei Buin, Hung Yi Chiang, S. Andrew Gadsden, Faraz A. Alderson

We present here a combination of two networks, Recurrent Neural Networks (RNN) and Temporarily Convolutional Neural Networks (TCN) in de novo reaction generation using the novel Reaction Smiles-like representation of reactions (CGRSmiles) with atom mapping directly incorporated.

Language Modelling Transfer Learning

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