Ligand-based approaches to activity prediction for the early stage of structure-activity-relationship progression. - Itsuki Maeda; Akinori Sato; Shunsuke Tamura; Tomoyuki Miyao (J. Comput. Aided Mol. Des., 2022)

Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test. - Itsuki Maeda; Shunsuke Tamura; Yoshihiro Ogura; Takayuki Serizawa; Takashi Shimada; Ryo Kunimoto; Tomoyuki Miyao (J. Chem. Inf. Model., 2024)

Mathematical Definition and Systematization of Puzzle Rules. - Itsuki Maeda; Yasuhiro Inoue (CoRR, 2025)