Enabling Accurate and Interpretable Property Prediction with TDiMS in Large MoleculesLisa HamadaAkihiro Kishimotoet al.2025NeurIPS 2025
Molecular Descriptor for Global Relationship of intra-Molecular SubstructuresLisa HamadaAkihiro Kishimotoet al.2024MRS Fall Meeting 2024
MHG-GNN: Combination of Molecular Hypergraph Grammar with Graph Neural NetworkAkihiro KishimotoHiroshi Kajinoet al.2023NeurIPS 2023
PatCID: Large-scale chemical-structure database from images in patent documentsIngmar MeijerValery Weberet al.2023ACS Fall 2023