Session Details
[29-60-am]Informatics, Computational chemistry 6
Sun. Mar 29, 2026 9:30 AM - 11:30 AM JST
Sun. Mar 29, 2026 12:30 AM - 2:30 AM UTC
Sun. Mar 29, 2026 12:30 AM - 2:30 AM UTC
Room 60 (4101, Bldg. 4, Area 4 [1F]) (2)
Discusser: Masayuki Hata, Sachiko Toma
[29-60-am-12S]Exploring drug repositioning candidates using a multimodal knowledge graph
○Takahide Suzuki1,2,3, Hisashi Shirakawa1, Asuka Inoue1,4, Hideyuki Shimizu2,3 (1. Grad. Sch. Pharm. Sci., Kyoto Univ., 2. Institute of Integrated Research, Institute of Science Tokyo., 3. Grad. Sch. Med. Dent. Sci., Institute of Science Tokyo., 4. Grad. Sch. Pharm. Sci., Tohoku Univ.)
[29-60-am-13]De novo Design of EGFR Tyrosine Kinase Inhibitors Using Generative AI and Deep Reinforcement Learning
Naoko Takahashi1, Kazunori Serita2, Shin Ishikane3, Masaki Arioka3, Fumi Takahashi-Yanaga3, ○Takahiro Teramoto1 (1. Univ. Kitakyushu, 2. Waseda Univ., 3. Univ. Occup. Environ. Health, Japan)
[29-60-am-14]Building an AI drug discovery information platform through comprehensive data collection and analysis of middle molecule-target interaction
○KAZUYOSHI IKEDA1,2, Tsubasa Nagae3,4, Yugo Shimizu1, Kentaro Tomii4 (1. R-CCS, RIKEN, 2. Facul. Pharm., Keio Univ., 3. Grad. Sch., Yokohama City Univ., 4. AIRC, AIST)
[29-60-am-15]Data-Driven Drug Discovery Using Graph Neural Network: LLM-Based Exploration of Rare Disease Indications
○Yusuke Nakayama1, Shingo Tsuji2, Koji Yamamoto3, Juran Kato1, Kouichi Hosomi4 (1. GEXVal Inc., 2. RCAST, Tokyo Univ., 3. Independent Researcher, 4. Pharm. Sci., Kindai Univ.)
[29-60-am-16]Conformational analysis of coenzyme NAD(P) in its complex with an enzyme
○Fumina Shibahara1, Mikio Fujii1 (1. School of Pharmacy, Int. Univ. Health and Welfare)