Nara Institute of Science and Technology · Center for Data-Driven Science Creation · 教授

Research keywordsinverse QSPR・inverse QSAR・molecular structure generation・machine learning design・polyester resins・molecular representations・ligand-based modeling

Research fieldsEngineering・Process engineering・Recycling engineering・化学工学一般・Science and Engineering・Integrated engineering

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• Interfacial negative charges in PECVD-SiO2/Si films: Correlating Si 2p XPS with electrical properties to construct a physically consistent model,2025 · Journal of Applied Physics, vol.138, no.17, 7 Nov. 2025
• Data-Driven Molecular Structure Generation for Inverse QSPR/QSAR Problem,2024 · Drug Development Supported by Informatics, pp47-59, 19 Oct. 2024
• Designing Heat-Resistant and Moldable Polyester Resin by the Integration of Machine Learning Models with Expert Knowledge,2024 · ACS Appl. Polym. Mater., 4 Apr. 2024
• Two- and Three-Dimensional Molecular Representations in Ligand-Based Approaches,2024 · Drug Development Supported by Informatics, pp175-186, 19 Oct. 2024

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