Application of Support Vector Machine to Three-Dimensional Shape-Based Virtual Screening Using Comprehensive Three-Dimensional Molecular Shape Overlay with Known Inhibitors. - Tomohiro Sato; Hitomi Yuki; Daisuke Takaya; Shunta Sasaki; Akiko Tanaka; Teruki Honma (J. Chem. Inf. Model., 2012)

Prediction of Ligand-Induced Structural Polymorphism of Receptor Interaction Sites Using Machine Learning. - Daisuke Takaya; Tomohiro Sato; Hitomi Yuki; Shunta Sasaki; Akiko Tanaka; Shigeyuki Yokoyama; Teruki Honma (J. Chem. Inf. Model., 2013)

Prediction of Inhibitory Activity against the MATE1 Transporter via Combined Fingerprint- and Physics-Based Machine Learning Models. - Koichi Handa; Shunta Sasaki; Satoshi Asano; Michiharu Kageyama; Takeshi Iijima; Andreas Bender 002 (J. Chem. Inf. Model., 2024)