【プログラム】
13:00-13:05　はじめに　宮野奈津美（帝人ファーマ）
13:05-13:30　横井駿 先生（明治大学）
Structural and Computational Insight into Dynamics and Intermediate State in Activation of Orexin 2 Receptor
13:30-13:55　平尾巧 先生（筑波大学）
Application of Parallel Cascade Selection Molecular Dynamics for generating virtual screening models
13:55-14:05　休憩
14:05-14:30　堤友佑先生（熊本大学）
Computational-Model-Based Machine-Learning Prediction of Regioselectivity in Organic Reactions: Application to Electrophilic Attach to Quinone Derivatives
14:30-14:55　松清優樹先生（九州工業大学）
De novo inhibitor and activator design from gene expression profiles via deep learning and Bayesian optimization
14:55-15:20　白石幹先生（第一三共）
Automation of building ML prediction models using in-house data and development of prediction result response applications
15:20-15:30　休憩
15:30-15:55　竹内孝輔 先生（第一三共）
Development of efficient process to extract SAR knowledge from literature by using CCR algorithm
15:55-16:20　水野聖士 先生（東北大学）
Establishment of the precise early prediction models of low-birth-weight for term and preterm birth groups based on genetic and environmental factors
16:20-16:45　吉開泰裕 先生（東京大学）
Investigation on the Transformer’s learning process of chemical structure comprehension
16:45-16:50　おわりに　渡邉博文（ウィズメーティス）