Revisiting Molecular Descriptors with TDiMS for Interpretable Intramolecular Interactions Based on Substructure Pairs
- Lisa Hamada
- Akihiro Kishimoto
- et al.
- 2026
- Nat. Comput. Sci.
Paper
Publications
3 results for Kohei Miyaguchi
Capturing Long-Range Intramolecular Interactions with TDiMS for Interpretable Property Prediction
- Lisa Hamada
- Akihiro Kishimoto
- et al.
- 2025
- NeurIPS 2025
Workshop paperEnabling Accurate and Interpretable Property Prediction with TDiMS in Large Molecules
- Lisa Hamada
- Akihiro Kishimoto
- et al.
- 2025
- NeurIPS 2025
Workshop paper