Article

Reproducing the Invention of a Named Reaction: Predicting Unseen Chemical Reactions via Zero-Shot Learning

2021-02-16

Abstract excerpt

The study focuses on the proof-of-concept that the human invention of a named reaction can be reproduced by the zero-shot learning version of transformer. While state-of-art reaction prediction machine learning models can predict chemical reactions through the transfer learning of thousands of training samples with the same reaction types as the ones to predict, how to prepare the models to predict truly "unseen"...

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Literature Corpus work: 30ed8d40-fbb7-537c-92bf-37f57b05540b
DOI: 10.26434/chemrxiv.14034890.v1

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