Automated BigSMILES conversion workflow and dataset for homopolymeric macromolecules by Sunho Choi, Joonbum Lee, Jangwon Seo, Sung Won Han, Sang Hyun Lee, Ji-Hun Seo, Junhee Seok

“…Abstract The simplified molecular-input line-entry system (SMILES) has been utilized in a variety of artificial intelligence analyses owing to its capability of representing chemical structures using line notation. However, its ease of representation is limited, which has led to the proposal of BigSMILES as an alternative method suitable for the representation of macromolecules. …”
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