2 papers
cs.LG2026
From Syntax to Semantics: Unveiling the Emergence of Chirality in SMILES Translation Models
Zehao Li, Yasuhiro Yoshikai, Shumpei Nemoto +2
Understanding how chemical language models (CLMs) learn chemical meaning from molecular string representations, rather than only surface-level string patterns, is an important ques…
q-bio.QM2026
Notation-level confounding: When inconsistent molecular notations mislead chemical language models
Yosuke Kikuchi, Yasuhiro Yoshikai, Shumpei Nemoto +4
Chemical language models (CLMs) are increasingly used for molecular design and property prediction. Because these models learn from textual encodings of molecules, differences in h…