\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Data-driven drug search and design by machine learning “<\/em><\/p>\n15:10 – 15:30 \u00a0 \u3010Break\u3011<\/p>\n
[Chair: Prof. Yoshihiro Yamanishi]<\/span>
\n15:30 – 15:45\u00a0 \u00a0 General Oral Presentation (O) – 1\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Hideya Tanaka (NAIST)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Quantitative structure\u2013reactivity relationship-guided mechanistic study of nitroxyl radical-catalyzed alcohol oxidation”<\/em>
\n15:45 – 16:00\u00a0 \u00a0 General Oral Presentation (O) – 2\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Yuto Iwasaki (NAIST)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Rapid evaluation of virtually synthesized compounds using a support vector machine model with reactant-wise kernels”<\/em>
\n16:00 – 16:15\u00a0 \u00a0 General Oral Presentation (O) – 3\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 Yuki Matsukiyo (Nagoya University)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Omics-based chemical structure generation considering molecular properties via deep reinforcement learning”<\/em>
\n16:15 – 16:25\u00a0 \u00a0 Exhibitor Presentation (E) – 1\u00a0 \u00a0 \u00a0 \u00a0 Yoshirou Kimura (MOLSIS Inc.)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“MOE Overview”<\/em>
\n16:25 – 16:35\u00a0 \u00a0 Exhibitor Presentation (E) – 2\u00a0 \u00a0 \u00a0 \u00a0 Sumie Tajima (Hulinks Inc.)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“StarDrop – Augmented Intelligence Platform for Data-Driven Drug Discovery -“<\/em>
\n16:35 – 16:45\u00a0 \u00a0 Exhibitor Presentation (E) – 3\u00a0 \u00a0 \u00a0 \u00a0 Toshihiro Kasai (Dassault Syst\u00e8mes K.K.)
\n \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Generative Therapeutics Design: Accelerate Drugn Design with AI and 3D models”<\/em><\/p>\n[Chair: Prof. Alexandre Varnek]<\/span>
\n16:50 – 17:30\u00a0 \u00a0 Plenary Lecture (PL) – 4
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Yasushi Okuno (Kyoto University)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“DX platform for target discovery and drug design”<\/em>
\n17:30 – 18:10\u00a0 \u00a0 Plenary Lecture (PL) – 5
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Dr. Sharon Bryant (Inte:Ligand)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Advanced 3D-Pharmacophores for Drug Discovery and De-Risking Neurotoxicity”<\/em><\/p>\n\u3010DAY2 – Wednesday, November 19\u3011<\/strong>
\n[Chair: Prof. Thierry Langer]<\/span>
\n9:30 – 10:10\u00a0 \u00a0 Plenary Lecture (PL) – 6
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Gisbert Schneider (ETH Zurich)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Deep drug design: Advancing from hits to leads”<\/em>
\n10:10 – 10:50\u00a0 \u00a0 Plenary Lecture (PL) – 7
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Tomoyuki Miyao (NAIST)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“QSPR modeling approaches representing conformations”<\/p>\n<\/em>[Chair: Prof. Dragos Horvath]<\/span>
\n10:50 – 11:30\u00a0 \u00a0 Plenary Lecture (PL) – 8
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Thierry Langer (Vienna University)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Next Generation Pharmacophore Modeling: Novel Concepts & Tools for Molecular Design”<\/em>
\n11:30 – 11:40\u00a0 \u00a0 Exhibitor Presentation (E) – 4 \u00a0 \u00a0 \u00a0 \u00a0 Ryosuke Sasak (S.T. Japan)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0<\/em>“Significant improvement in mass accuracy of MS spectra from single quadrupole mass spectrometers using MassWorks software”
\n11:40 – 11:50\u00a0 \u00a0 Exhibitor Presentation (E) – 5 \u00a0 \u00a0 \u00a0 \u00a0 WAN Qin (Chiral)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Chiral Potter: A Cloud-Based Workflow Solution for Seamless Science”<\/em>
\n11:50 – 12:00\u00a0 \u00a0 Exhibitor Presentation (E) – 6 \u00a0 \u00a0 \u00a0 \u00a0 Shohei Sanada (Transition State Technology)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Contract Research and Development Based on Computational (Quantum Chemical) Synthesis-Support Technologies”<\/em><\/p>\n12:00 – 13:30\u3010Lunch Break\u3011<\/p>\n
[Chair: Prof. Tomoyuki Miyao]<\/span>
\n13:30 – 13:45\u00a0 \u00a0 General Oral Presentation (O) – 4 \u00a0 \u00a0 \u00a0 \u00a0 Kowit Hengphasatporn (University of Tsukuba)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“The Full Mechanistic Tale of Pralidoxime in Acetylcholinesterase: Binding, Reaction, and Release”<\/em>
\n13:45 – 14:00\u00a0 \u00a0 General Oral Presentation (O) – 5 \u00a0 \u00a0 \u00a0 \u00a0 Pavel SIdorov (Hokkaido University\u30fbICReDD)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Bridging the Gap: Collaborative Tools for Chemoinformatics and Experimental Chemistry”<\/em>
\n<\/em>
\n[Chair: Prof. J\u00fcrgen Bajorath]<\/span>
\n14:00 – 14:40\u00a0 \u00a0 Plenary Lecture (PL) – 9
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Alexandre Varnek \u00a0(Strasbourg University)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Artificial Intelligence: The Future for Synthetic Chemistry?”<\/em>
\n14:40 – 15:20\u00a0 \u00a0 Plenary Lecture (PL) – 10
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Kenji Hori \u00a0(TS Technology)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Current in the data-driven synthesis route development methods in TS technology (DSRDM in TST) and its applications for fine chemicals”<\/p>\n<\/em>[Chair: Prof. Manabu Sugimoto]<\/span>
\n15:20 – 17:10\u00a0 \u00a0 Poster Presentation (short presentations)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0*Each poster presenter will give a 2-minute presentation.<\/p>\n[Chair: Prof. Hanoch Senderowitz]<\/span>
\n17:10 – 17:50\u00a0 \u00a0 Plenary Lecture (PL) – 11
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Jose L Medina-Franco (National Autonomous University of Mexico)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“D-Tools: An Open Platform for Research and education in Chemoinformatics.”<\/em><\/p>\n18:10\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Reception<\/strong><\/p>\n\n\u3010DAY3 – Thursday, November 20\u3011<\/strong>
\n[Chair: Prof. Jose L Medina-Franco]<\/span>
\n9:30 – 10:10\u00a0 \u00a0 Plenary Lecture (PL) – 12
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Dragos Horvath \u00a0(Strasbourg University)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Chemography \u2013 from Abstract Mathematics to Library Design”<\/em>
\n10:10 – 10:50\u00a0 \u00a0 Plenary Lecture (PL) – 13
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Shigetaka Tomiya (NAIST)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Metrology informatics for electron microscopy”<\/p>\n<\/em>[Chair: Prof. Shigetaka Tomiya]<\/span>
\n10:50 – 11:30\u00a0 \u00a0 Plenary Lecture (PL) – 14
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Hanoch Senderowitz (Bar-Ilan University)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Materials Informatics for green energy harvesting and storage”<\/em>
\n11:30 – 11:40\u00a0 \u00a0 Exhibitor Presentation (E) – 7\u00a0 \u00a0 \u00a0 \u00a0 Gunther Stahl (OpenEye, Cadence Molecular Sciences)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Extreme-Scale Search\u2026when Billions aren\u2019t Enough”<\/em>
\n11:40 – 11:50\u00a0 \u00a0 Exhibitor Presentation (E) – 8\u00a0 \u00a0 \u00a0 \u00a0 Haris Hasic (Elix, Inc.)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“kMoL: An Open-source Machine and Federated Learning Library for Drug Discovery”<\/em>
\n11:50 – 12:00\u00a0 \u00a0 Exhibitor Presentation (E) – 9\u00a0 \u00a0 \u00a0 \u00a0 Tomohiko Tasaka (Affinity Science Corporation)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Case Study: Hit-to-Lead Research Using Alvascience Suite”<\/em><\/p>\n12:00 – 13:30 \u3010Lunch Break\u3011<\/p>\n
[Chair: Prof. Kenji Hori]<\/span>
\n13:30 – 14:10\u00a0 \u00a0 Plenary Lecture (PL) – 15
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Mikiya Fujii (NAIST)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Inorganic Materials Design Utilizing Machine Learning and Generative Adversarial Networks”<\/em>
\n14:10 – 14:50\u00a0 \u00a0 Plenary Lecture (PL) – 16
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0Prof. Manabu Sugimoto \u00a0(Daiichi University of Pharmacy)
\n\u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0 \u00a0“Extended Molecular Representations for Electronic-Structure Informatics and Their Applications”<\/em>
\n14:50 – 15:00\u00a0 \u00a0 Closing Remarks \u00a0 \u00a0 \u00a0 \u00a0 Kimito Funatsu (NAIST)<\/p>\nContact<\/h5>\n
Autumn School on Cheminformatics
\nData Science Center, Nara Institute of Science and Technology (NAIST)
\nTel: +81-743-72-6056, 5393
\nE-mail: dsc-info(at)dsc.naist.jp<\/p>\n","protected":false},"excerpt":{"rendered":"
9th Autumn School on Chemoinformatics 2025 The biennial occurrence of the Autumn School on Chemoinformatics marks a significant milestone as it reaches its 9th edition. Serving as a harmonious counterpart to the Summer School on Chemoinformatics hosted at the University of Strasbourg, this international symposium has consistently functioned as a distinguished platform for disseminating cutting-edge […]<\/p>\n","protected":false},"author":1,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"_locale":"en_US","_original_post":"http:\/\/www-dsc.naist.jp\/dsc_naist\/?p=5940","_links_to":"","_links_to_target":""},"categories":[21,1,3],"tags":[],"event_taxonomy":[17],"acf":[],"_links":{"self":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/5976"}],"collection":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/users\/1"}],"replies":[{"embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/comments?post=5976"}],"version-history":[{"count":53,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/5976\/revisions"}],"predecessor-version":[{"id":6480,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/5976\/revisions\/6480"}],"wp:attachment":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/media?parent=5976"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/categories?post=5976"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/tags?post=5976"},{"taxonomy":"event_taxonomy","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/event_taxonomy?post=5976"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}