Nara Institute of Science and Technology · Center for Data-Driven Science Creation · 特任助教

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• Chemical Graph-Based Transformer Models for Yield Prediction of High-Throughput Cross-Coupling Reaction Datasets
• Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations
• Interface State Density Prediction between an Insulator and a Semiconductor by Gaussian Process Regression Models for a Modified Process
• Analog Accessibility Score (AAscore) for Rational Compound Selection

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