A merged molecular representation learning for molecular properties prediction with a web-based service

Abstract Deep learning has brought a dramatic development in molecular property prediction that is crucial in the field of drug discovery using various representations such as fingerprints, SMILES, and graphs. In particular, SMILES is used in various deep learning models via character-based approach...

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Auteurs principaux: Hyunseob Kim, Jeongcheol Lee, Sunil Ahn, Jongsuk Ruth Lee
Format: article
Langue:EN
Publié: Nature Portfolio 2021
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Accès en ligne:https://doaj.org/article/2993cc3aff2243a397e8e03b895d819d
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