Positional embeddings and zero-shot learning using BERT for molecular-property prediction

Abstract Recently, advancements in cheminformatics such as representation learning for chemical structures, deep learning (DL) for property prediction, data-driven discovery, and optimization of chemical data handling, have led to increased demands for handling chemical simplified molecular input li...

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Bibliographic Details
Main Authors:	Medard Edmund Mswahili, JunHa Hwang, Jagath C. Rajapakse, Kyuri Jo, Young-Seob Jeong
Format:	Article
Language:	English
Published:	BMC 2025-02-01
Series:	Journal of Cheminformatics
Subjects:	Transformers BERT Positional embedding/encoding Zero-shot learning Molecular-property prediction SMILES
Online Access:	https://doi.org/10.1186/s13321-025-00959-9
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Positional embeddings and zero-shot learning using BERT for molecular-property prediction

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