SMILES Pair Encoding: A Data-Driven Substructure Tokenization Algorithm for Deep Learning
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DOI: 10.1021/acs.jcim.0c01127
Abstract: Simplified molecular input line entry system (SMILES)-based deep learning models are slowly emerging as an important research topic in cheminformatics. In this study, we introduce SMILES pair encoding (SPE), a data-driven tokenization algorithm. SPE first… read more here.
Keywords: pair encoding; smiles pair; data driven; deep learning ... See more keywords