ショートアブストラクト一覧

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招待講演者（プログラム順）

Prof. Jürgen Bajorath（University of Bonn）
“Chemical Language Models and Prediction Anatomy“

Prof. Alexander Tropsha（The University of North Carolina at Chapel Hill）
“AI/ML approaches for generative chemical design and virtual screening acceleration“

Prof. Yoshihiro Yamanishi （Nagoya University）
“Data-driven drug search and design by machine learning”

Prof. Yasushi Okuno（Kyoto University）
“DX platform for target discovery and drug design“

Dr. Sharon Bryant（Inte:Ligand）
“Advanced 3D-Pharmacophores for Drug Discovery and De-Risking Neurotoxicity“

Prof. Gisbert Schneider（ETH Zurich）
“Deep drug design: Advancing from hits to leads“

Assoc. Prof. Tomoyuki Miyao（NAIST）
“QSPR modeling approaches representing conformations“

Prof. Thierry Langer（University of Vienna）
“Next Generation Pharmacophore Modeling: Novel Concepts & Tools for Molecular Design“

Prof. Alexandre Varnek（University of Strasbourg）
“Artificial Intelligence: The Future for Synthetic Chemistry?“

Prof. Kenji Hori（TS Technology）
“Current in the data-driven synthesis route development methods in TS technology (DSRDM in TST) and its applications for fine chemicals“

Prof. Jose L Medina-Franco（National Autonomous University of Mexico）
“D-Tools: An Open Platform for Research and education in Chemoinformatics.“

Prof. Dragos Horvath（University of Strasbourg）
“Chemography – from Abstract Mathematics to Library Design“

Prof. Shigetaka Tomiya（NAIST）
“Metrology informatics for electron microscopy“

Prof. Hanoch Senderowitz（Bar-Ilan University）
“Materials Informatics for green energy harvesting and storage“

Prof. Mikiya Fujii（NAIST）
“Inorganic Materials Design Utilizing Machine Learning and Generative Adversarial Networks“

Prof. Manabu Sugimoto（Kumamoto University）
“Extended Molecular Representations for Electronic-Structure Informatics and Their Applications“

一般口頭発表者（プログラム順）

田中英也 (NAIST)
“Quantitative structure–reactivity relationship-guided mechanistic study of nitroxyl radical-catalyzed alcohol oxidation“

岩﨑　悠人 (NAIST)
“Rapid evaluation of virtually synthesized compounds using a support vector machine model with reactant-wise kernels“

松清優樹 (名古屋大)
“Omics-based chemical structure generation considering molecular properties via deep reinforcement learning“

Kowit Hengphasatporn (筑波大学)
“The Full Mechanistic Tale of Pralidoxime in Acetylcholinesterase: Binding, Reaction, and Release“

Pavel SIdorov (北海道大学・ICReDD)
“Bridging the Gap: Collaborative Tools for Chemoinformatics and Experimental Chemistry“

Galymzhan Moldagulov (Institute for Basic Science, CARS, UNIST)
“Predicting Ligand-to-Metal Coordination Modes by a Combination of Coordination Templates and Machine Learning“