42 citations · 86 across the 9 of their papers we have counts for
3 papers · 1 filter
Exploring Multi-Objective Trade-offs in Reference Compound Selection for Validation Studies of Toxicity Assays
Yohei Ohto, Tadahaya Mizuno, Yasuhiro Yoshikai +2
In chemical safety assessment, validation studies rely on reference compound lists to evaluate the applicability of alternative methods prior to regulatory acceptance. These lists…
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…
NRBdMF: A recommendation algorithm for predicting drug effects considering directionality
Iori Azuma, Tadahaya Mizuno, Hiroyuki Kusuhara
Predicting the novel effects of drugs based on information about approved drugs can be regarded as a recommendation system. Matrix factorization is one of the most used recommendat…