Article

Algebraic Graph-assisted Bidirectional Transformers for Molecular Prediction

2021-01-29

Abstract excerpt

<title>Abstract</title> <p>The ability of quantitative molecular prediction is of great significance to drug discovery, human health, and environmental protection. Despite considerable efforts, quantitative prediction of various molecular properties remains a challenge. Although some machine learning models, such as bidirectional encoder from transformer, can incorporate massive unlabeled molecular data into mole...

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Literature Corpus work: 0386c635-562a-575f-a313-e82805f1e4b3
DOI: 10.21203/rs.3.rs-152856/v1

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