42 citations · 86 across the 9 of their papers we have counts for
3 papers · 1 filter
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…
Difficulty in chirality recognition for Transformer architectures learning chemical structures from string
Yasuhiro Yoshikai, Tadahaya Mizuno, Shumpei Nemoto +1
Recent years have seen rapid development of descriptor generation based on representation learning of extremely diverse molecules, especially those that apply natural language proc…
Investigation of a Data Split Strategy Involving the Time Axis in Adverse Event Prediction Using Machine Learning
Katsuhisa Morita, Tadahaya Mizuno, Hiroyuki Kusuhara
Adverse events are a serious issue in drug development and many prediction methods using machine learning have been developed. The random split cross-validation is the de facto sta…