Takuto Koyama

机构：Kyoto University · ORCID：0000-0002-9569-8370

发表论文 18 篇 · 总被引 77 次 · h-index 5

代表论文

• VGAE-MCTS: A New Molecular Generative Model Combining the Variational Graph Auto-Encoder and Monte Carlo Tree Search (2023 · Journal of Chemical Information and Modeling · 被引 30)
• kMoL: an open-source machine and federated learning library for drug discovery (2025 · Journal of Cheminformatics · 被引 15)
• Feature extraction of particle morphologies of pharmaceutical excipients from scanning electron microscope images using convolutional neural networks (2024 · International Journal of Pharmaceutics · 被引 9)
• Chemical genomics language model toward reliable and explainable compound-protein interaction exploration (2026 · Journal of Cheminformatics · 被引 5)
• Improving Compound–Protein Interaction Prediction by Self-Training with Augmenting Negative Samples (2023 · Journal of Chemical Information and Modeling · 被引 5)
• Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization (2025 · Journal of Chemical Information and Modeling · 被引 4)