{"id":4812,"date":"2023-09-21T09:00:28","date_gmt":"2023-09-21T00:00:28","guid":{"rendered":"http:\/\/www-dsc.naist.jp\/dsc_naist\/?p=4812"},"modified":"2023-11-27T10:07:07","modified_gmt":"2023-11-27T01:07:07","slug":"autumn_school2023","status":"publish","type":"post","link":"http:\/\/www-dsc.naist.jp\/dsc_naist\/en\/autumn_school2023\/","title":{"rendered":"8th Autumn School of Chemoinformatics in Nara, 2023"},"content":{"rendered":"

8th Autumn School of Chemoinformatics in Nara<\/h3>\n
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The biennial occurrence of the Autumn School on Chemoinformatics marks a significant milestone as it reaches its 8th 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 initiatives in the field of data-driven chemistry. This upcoming iteration is set to feature insightful presentations by esteemed global leaders in the field of data-driven chemistry. In addition, the program will encompass general oral presentations and poster sessions. The pursuit of data-driven methodologies, inseparable from the fabric of chemical research, has become commonplace in its realm. We hope that this international symposium can catalyze and serve as an aid to your future research and development endeavours.<\/p>\n<\/div>\n<\/div>\n<\/div>\n

Date and Time<\/h5>\n

DAY1 – Tuesday, 28th November 2023 \u2022 10:30-17:40
\nDAY2 – Wednesday, 29th November 2023 \u2022 9:30-17:20
\nDAY3 – Thursday, 30th November 2023 \u2022 9:30-15:00<\/p>\n

Venue<\/h5>\n

Nara Kasugano International Forum, Annex 2F (Access<\/a>, Guide map to the Annex<\/a>)<\/p>\n

Registration Fee<\/h5>\n

General: JPY 8,000 (Students: JPY 4,000)
\n\u203bParticipation from member companies of the Data-Driven Science Consortium is complimentary.
\n\u203bEach exhibiting company is entitled to have up to three attendees at no charge. If there are more than three registrants, we kindly ask for general registration.
\n<\/span><\/p>\n

Please make the payment for the fee at the on-site reception. (Cash only)
\nWe will provide you with the attendance certificate and a receipt at the conference registration desk.<\/p>\n

Reception<\/h5>\n

Wednesday, 29th November 2023 \u2022 starts at 18:00
\nRestaurant “Half Time” in Nara National Museum (Access<\/a>)
\nReception Fee: JPY 10,000 (Students JPY 5,000)<\/p>\n

Please make the payment for the fee at the on-site reception. (Cash only)
\nFor those who require receipts, we will issue them at the conference registration desk.<\/p>\n

Registration Form<\/h5>\n

Click here to register\u00a0 \u203bRegistration is now closed.<\/span><\/span><\/p>\n

\u203bRegistration will close immediately if the maximum capacity of 150 participants is reached before the registration deadline.<\/p>\n

Registration Deadline<\/h5>\n

Presenters (General Oral Presentations and Poster Presentations)<\/strong>\u3000\u203bThe presenter application is now closed.
\n<\/span>General Oral Presentations: 15 minutes (including Q&A)
\nPoster Presentations: Including a 2-minute short presentation
\nBy September 20, 2023<\/span> \u00a0 \u203bApplication deadline has been extended.
\nPlease register and submit presentation title and a 200-word abstract in English through the registration form.
\nBy November 11, 2023<\/span>
\nAfter your registration, please download the template from the email you receive and upload your 2 to 4-page presentation abstract using the upload link provided in the same email.
\nBy November 14, 2023<\/span>
\nPlease make the payment for the participation fee.
\n\u203bYour registration will be confirmed upon receipt of the bank transfer.<\/p>\n

Attendees Only
\n<\/strong>By November 14, 2023<\/span>
\nPlease make the payment for the participation fee.
\n\u203bYour registration will be confirmed upon receipt of the bank transfer.<\/p>\n

Organizer<\/h5>\n

Data Science Center, Nara Institute of Science and Technology<\/p>\n

Sponsorship<\/h5>\n

Division of Chemoinformatics, The Chemical Society of Japan
\nSociety of Computer Chemistry, Japan
\nThe Chem-Bio Informatics Society<\/p>\n

Exhibitors<\/h5>\n

AFFINITY SCIENCE CORPORATION
\nOpenEye, Cadence Molecular Sciences<\/span>
\nWorld Fusion Co., Ltd.
\nMOLSIS Inc.
\nS.T. Japan INC.
\nSchr\u00f6dinger K.K.
\nIktos
\nElix, Inc.<\/p>\n

Guest Speakers<\/h5>\n

Prof. J\u00fcrgen Bajorath (Bonn University)
\nDr. Sharon Bryant (Inte:Ligand)
\nProf. Johann Gasteiger (Erlangen-Nuernberg University)
\nProf. Kenji Hori (TS Technology)
\nProf. Satoshi Maeda (Hokkaido University)
\nProf. Thierry Langer\uff08Vienna University\uff09
\nProf. Didier Rognan\uff08Strasbourg University\uff09
\nProf. Gisbert Schneider\uff08ETH\uff09
\nProf. Manabu Sugimoto\uff08Kumamoto University\uff09
\nProf. Shigetaka Tomiya\uff08NAIST\uff09
\nProf. Alexandre Varnek\uff08Strasbourg University\uff09
\nProf. Yoshihiro Yamanishi \uff08Nagoya University\uff09
\nProf. Kazunari Yoshizawa\uff08Kyushu University\uff09<\/p>\n

Program\uff08TBD\uff09<\/h4>\n

\u203bWe will progressively provide more detailed information.<\/p>\n

DAY1 – Tuesday, 28th November 2023<\/strong>
\n\uff11\uff10\uff1a\uff13\uff10\uff5e\uff11\uff10\uff1a\uff14\uff10\u3000\u00a0 Opening Remarks\u3000Kimito Funatsu\uff08NAIST\uff09
\n\uff11\uff10\uff1a\uff14\uff10\uff5e\uff11\uff12\uff1a\uff12\uff10\u3000\u3010Guest Speaker Session 1\u3011
\n[Chair: Prof. Kimito Funatsu]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\u3000\u00a0 Prof. Johann Gasteiger (Erlangen-Nuernberg University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “My 50 Years of Chemoinformatics Research<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0 \u30fb\uff30\uff2c\uff0d\uff12\u3000\u00a0\u00a0 Prof. J\u00fcrgen Bajorath (Bonn University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Chemical Language Models for Molecular Design<\/a>“<\/em>
\n\uff11\uff12\uff1a\uff12\uff10\uff5e\uff11\uff13\uff1a\uff13\uff10\u3000\u3010Break\u3011
\n\uff11\uff13\uff1a\uff13\uff10\uff5e\uff11\uff14\uff1a\uff10\uff10\u3000\u3010Exhibitor Presentation 1\u3011
\n[Chair: Prof. Manabu Sugimoto]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0 \u30fb\uff25\uff0d\uff11\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 OpenEye, Cadence Molecular Sciences – <\/em>Gunther Stahl
\n \u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “<\/em>Automated Identification of Cryptic Pockets for Drug Discovery<\/a>“<\/span>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0 \u30fb\uff25\uff0d\uff12\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Schr\u00f6dinger K.K. – <\/em><\/span>Yuji Takaoka
\n \u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 <\/span>“Automated Molecular Machine Learning with DeepAutoQSAR”<\/em>
\n\uff11\uff14\uff1a\uff10\uff10\uff5e\uff11\uff14\uff1a\uff15\uff10\u3000\u3010Guest Speaker Session 2\u3011
\n[Chair: Prof. Alexandre Varnek]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff13\u3000\u00a0\u00a0 Prof. Satoshi Maeda (Hokkaido University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Predicting a Chemical Reaction, its Products, Yields, and Mechanisms by Exploring Quantum Chemical Potential Energy Surfaces<\/a>“<\/em>
\n\uff11\uff14\uff1a\uff15\uff10\uff5e\uff11\uff15\uff1a\uff12\uff10\u3000\u3010Break\u3011
\n\uff11\uff15\uff1a\uff12\uff10\uff5e\uff11\uff16\uff1a\uff10\uff15\u3000\u3010General Oral Presentation\u3011
\n[Prof. Kenji Hori]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff10\uff0d\uff11\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u3000Pavel Sidorov\u00a0 (Hokkaido University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “<\/em>Predicting Highly Enantioselective Catalysts Using Tunable Fragment Descriptors<\/a>“
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff10\uff0d\uff12\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u3000Yosuke Harashima (NAIST)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “<\/em>Data assimilation method for materials exploration based on Bayesian optimization<\/a>“
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff10\uff0d\uff13\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u3000Swarit Jasial (NAIST)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Prediction of Monomer Concentrations in Copolymerization Reactions from Infrared (IR) Spectra<\/a>“<\/em>
\n\uff11\uff16\uff1a\uff10\uff15\uff5e\uff11\uff17\uff1a\uff14\uff15\u3000\u3010Guest Speaker Session 3\u3011
\n[Chair: Prof. Manabu Sugimoto]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff14\u00a0\u00a0 \u3000Prof. Kenji Hori (TS Technology)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Data-Driven Chemistry for Developing Organic Synthesis Routes for Functional Chemicals<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff15\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Prof. Alexandre Varnek (Strasbourg University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Condensed Graph of Reaction – a Swiss-army knife for chemical reactions mining<\/a>“<\/em><\/p>\n

DAY2 – Wednesday, 29th November 2023<\/strong>
\n\uff19\uff1a\uff13\uff10\uff5e\uff11\uff11\uff1a\uff11\uff10\u3000\u00a0\u00a0 \u3010Guest Speaker Session 4\u3011
\n[Chair: Prof. Thierry Langer]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff16\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Prof. Didier Rognan (Strasbourg University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Protein structure-based organic chemistry-driven ligand design from billion-size chemical spaces<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff17\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Prof. Yoshihiro Yamanishi (Nagoya University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Data-driven drug discovery and healthcare by machine learning<\/a>“<\/em>
\n\uff11\uff11\uff1a\uff11\uff10\uff5e\uff11\uff11\uff1a\uff14\uff10\u3000\u3010Exhibitor Presentation 2\u3011
\n[Chair: Prof. Kenji Hori]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff13\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 MOLSIS Inc. – <\/em>Yoshirou Kimura
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 <\/em>“MOE Overview<\/em><\/a>“
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff14\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 AFFINITY SCIENCE CORPORATION – Tomohiko Tasaka
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 <\/em>“Introduction of software tools for de novo molecular design and structure-based methods<\/em>“
\n\uff11\uff11\uff1a\uff14\uff10\uff5e\uff11\uff13\uff1a\uff10\uff10\u3000\u3010Break\u3011
\n\uff11\uff13\uff1a\uff10\uff10\uff5e\uff11\uff13\uff1a\uff15\uff10\u3000\u3010Guest Speaker Session 5\u3011
\n[Chair: Prof. J\u00fcrgen Bajorath]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff18\u3000\u00a0\u00a0\u00a0 Prof. Gisbert Schneider (ETH Zurich)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “De Novo Molecular Design with Machine Intelligence<\/a>“<\/em>
\n\uff11\uff13\uff1a\uff15\uff10\uff5e\uff11\uff14\uff1a\uff12\uff10\u3000\u3010General Oral Presentation\u3011
\n[Chair: Prof. Sharon Bryant]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0 \u30fb\uff10\uff0d\uff14\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Yuki Matsukiyo (Kyushu Institute of Technology)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Gene expression data-driven scaffold-constrained molecular structure generation by deep neural network<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff10\uff0d\uff15\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Kazufumi Ohkawa (Asahi Kasei Pharma)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Development of fingerprints considering chemical reactions<\/a>“<\/em>
\n\uff11\uff14\uff1a\uff12\uff10\uff5e\uff11\uff16\uff1a\uff10\uff15\u3000\u3010Poster Presentation (short presentations)\u3011
\n[Chair: Manabu Sugimoto]
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000<\/em> \u203bAfter the 2-minute PowerPoint presentation, those presenting posters will continue with their poster presentations.
\n\uff11\uff16\uff1a\uff11\uff10\uff5e\uff11\uff16\uff1a\uff14\uff10\u3000\u3010Exhibitor Presentation \uff13\u3011
\n[Chair: Prof. Shigetaka Tomiya]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff15\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 World Fusion Co., Ltd. – Atsushi Midorikawa
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Challenges in Tracking Life Science Literature and the New Solution ‘PubMedify’<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff16\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 Elix, Inc. – Casey Galvin
\n \u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Molecular Generation of Non-covalent KRAS Inhibitor Candidates Using Machine Learning”<\/em>
\n\uff11\uff16\uff1a\uff14\uff10\uff5e\uff11\uff17\uff1a\uff13\uff10\u3000\u3010Guest Speaker Session 6\u3011
\n[Chair: Prof. Gisbert Schneider]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0 \u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff19\u3000\u00a0\u00a0\u00a0 Dr. Sharon Bryant (Inte:Ligand)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Advanced 3D-Pharmacophores for Bioactive Molecule Discovery and De-Risking Neurotoxicity<\/a>“<\/em>
\n\uff11\uff18\uff1a\uff10\uff10\uff5e\u3000\u3000\u3000\u3000\u3000\u3000 Reception: “Half Time” in Nara National Museum<\/p>\n

DAY3 – Thursday, 30th November 2023<\/strong>
\n\uff19\uff1a\uff13\uff10\uff5e\uff11\uff11\uff1a\uff11\uff10\u00a0 \u3000 \u3010Guest Speaker Session 7\u3011
\n[Chair: Prof. Kenji Hori]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff10\u3000 Prof. Shigetaka Tomiya (NAIST)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Metrology informatics on semiconductor materials<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff11\u3000 Prof. Thierry Langer (Vienna University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Towards Next Generation Pharmacophore Modeling: Concepts and Applications<\/a>“<\/em>
\n\uff11\uff11\uff1a\uff11\uff10\uff5e\uff11\uff11\uff1a\uff14\uff10\u3000\u3010Exhibitor Presentation 4\u3011
\n[Chair: Prof. Kazunari Yoshizawa]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff17\u3000\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 S.T. Japan INC. – <\/em>Ryosuke Sasaki
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u00a0 “Usefulness of Mixture Analysis with Spectra Genius Mixture Master<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff25\uff0d\uff18\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u3000 Iktos – Hideyoshi Fuji
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u00a0 “Iktos Generative AI Technology to Accelerate Drug Design and Discovery<\/a>“<\/em>
\n\uff11\uff11\uff1a\uff14\uff10\uff5e\uff11\uff13\uff1a\uff10\uff10\u3000\u3010Break\u3011
\n\uff11\uff13\uff1a\uff10\uff10\uff5e\uff11\uff14\uff1a\uff14\uff10\u3000\u3010Guest Speaker Session 8\u3011
\n[Chair: Prof. Yoshihiro Yamanishi]
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff12\u3000 Prof. Kazunari Yoshizawa (Kyushu University)
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Catalyst Informatics Study for the Selective Functionalization of Methane<\/a>“<\/em>
\n\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0\u00a0 \u30fb\uff30\uff2c\uff0d\uff11\uff13\u3000 Prof. Manabu Sugimoto (Kumamoto University)\u3000
\n\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u3000 “Electronic-Structure Informatics: Concepts, Extended Methods, and Recent Applications<\/a>“<\/em>
\n\uff11\uff14\uff1a\uff14\uff10\u3000\u3000\u3000\u3000\u3000\u3000\u3000\u00a0 Closing Remarks\u3000\u3000Kimito Funatsu\uff08NAIST\uff09<\/p>\n

\u3010List of Poster Presentations\u3011<\/p>\n

\n\uff30\uff0d\uff11 Naoki Matsui (Tokyo Institute of Technology)
\n\u3000\u3000\u3000”Universal Compositional Descriptors for Ionic Conductivity in Solid Electrolytes<\/a>“
\n\uff30\uff0d\uff12 Philippe Gantzer (Hokkaido University)
\n\u3000\u3000\u3000”Representation of Reaction Networks by Generative Topographic Mapping<\/a>“
\n\uff30\uff0d\uff13 Shunsuke Tanahashi (NAIST)
\n\u3000\u3000\u3000”Improvement of Product Prediction in Polymer Flow Synthesis with Computational Fluid Dynamics<\/a>“
\n\uff30\uff0d\uff14 Shuya Masuda (NAIST)
\n\u3000\u3000\u3000”Exploring P-type oxide semiconductor photocatalysts using machine learning potentials<\/a>“
\n\uff30\uff0d\uff15 Mamoru Nishijo (NAIST)
\n\u3000\u3000\u3000”Designing new materials by closed loop consisting of GAN and first-principles calculation<\/a>“
\n\uff30\uff0d\uff16 Daimon Sakaguchi (YOKOHAMA National University)
\n\u3000\u3000\u3000”Explanation and prediction of nucleophilic reaction\u2019s facial selectivity of cyclic ketones by calculating steric and orbital factor.<\/a>“
\n\uff30\uff0d\uff17 Yuuto Matsumoto (YOKOHAMA National University)
\n\u3000\u3000\u3000”Embedding of compounds names from antioxidant articles is related to compound\u2019s features<\/a>“
\n\uff30\uff0d\uff18 A. Nakao (CrowdChem)
\n\u3000\u3000\u3000”Multi-property prediction model based on patents and PoLyInfo database<\/a>“
\n\uff30\uff0d\uff19 Yusuke Aikawa (Kumamoto University)
\n\u3000\u3000\u3000”Detouring costly quantum-chemistry calculations: Machine-learning prediction of electronic-sturcture-informatics (ESI) descriptors<\/a>“
\n\uff30\uff0d\uff11\uff10 Shogo Takasuka (NAIST)
\n\u3000\u3000\u3000”Process optimization by multi-objective Bayesian Optimization of copolymers radical polymerized in a flow synthesizer.<\/a>“
\n\uff30\uff0d\uff11\uff11 Toshiki Naka (NAIST)
\n\u3000\u3000\u3000”Data assimilation of perovskite-type metal oxides\u2019 band gaps obtained by first-principles calculations and experiments<\/a>“
\n\uff30\uff0d\uff11\uff12 Y. Shimo (Tokyo Institute of Technology)
\n\u3000\u3000\u3000”Comprehensive exploring for cathode materials of fluoride ion batteries<\/a>“
\n\uff30\uff0d\uff11\uff13 Ruben STAUB (Hokkaido University)
\n\u3000\u3000\u3000”Accelerating Artificial Force Induced Reaction path search with Neural Network Potentials<\/a>“
\n\uff30\uff0d\uff11\uff14 GIMADIEV Timur (Hokkaido University)
\n\u3000\u3000\u3000”Graph Neural Networks based Active Learning for Guided Exploration of High-yield Reactions<\/a>“
\n\uff30\uff0d\uff11\uff15 Yamato Mizushima (NAIST)
\n\u3000\u3000\u3000”Development of Base Metal Alloy Catalysts by Cyber-physical Loop Using Electronic Laboratory Notebook<\/a>“
\n\uff30\uff0d\uff11\uff16 Rezi Riadhi (NAIST)
\n\u3000\u3000\u3000”Utilization of Hybrid Fragmentation Fingerprint in SARMs Dataset<\/a>“
\n\uff30\uff0d\uff11\uff17 Dmitrii Zankov (Hokkaido University)
\n\u3000\u3000\u3000”Graph-based Self-Learning Retrosynthesis Planner<\/a>“
\n\uff30\uff0d\uff11\uff18 Akinori Sato (NAIST)
\n\u3000\u3000\u3000”Prediction of reaction yield for high throughput experimental data sets by deep learning<\/a>“
\n\uff30\uff0d\uff11\uff19 Kosuke Tanie (NAIST)
\n\u3000\u3000\u3000”Construction of cyber physical loop including dynamic Monte Carlo simulation and Application to SrTiO3 photocatalyst performance<\/a>“
\n\uff30\uff0d\uff12\uff10 Tomoki Imoto (NAIST)
\n\u3000\u3000\u3000”Construction of machine learning model predicting Bader charges and application of the model to exploration of CO2 reduction electrocatalyst<\/a>“
\n\uff30\uff0d\uff12\uff11 Ryuto Baba (NAIST)
\n\u3000\u3000\u3000”Screening of Sulfide Photocatalyst Materials by Machine Learning<\/a>“
\n\uff30\uff0d\uff12\uff12 Shunsuke Nakatani (Keio University)
\n\u3000\u3000\u3000”Database of metal-phosphine complexes and its application to the prediction of the catalytic abilities using machine learning<\/a>“
\n\uff30\uff0d\uff12\uff13 S. Nakata (Kobe University)
\n\u3000\u3000\u3000”Efficient exploration of the chemical space through the composition of property-specific SMILES language models<\/a>“
\n\uff30\uff0d\uff12\uff14 Y. Tateishi (Kumamoto University)
\n\u3000\u3000\u3000”Electronic-Structure Informatics for Natural Product Drug Discovery: Discovery of \u03b1-glucosidase Inhibitors<\/a>“
\n\uff30\uff0d\uff12\uff15 Kazuma Kaitoh (Nagoya University)
\n\u3000\u3000\u3000”Chemical Space Visualization Toward Data-Driven DNA-Encoded Library Design<\/a>“
\n\uff30\uff0d\uff12\uff16 Mio Yokoyama (Kumamoto University)
\n\u3000\u3000\u3000”Predicting Ligand-Receptor Interaction Energies by Electronic-Structure Informatics<\/a>“
\n\uff30\uff0d\uff12\uff17 Koki Saiga (Kumamoto University)
\n\u3000\u3000\u3000”Design and Optimizaiton of Degital-Twins of Perovskite Solar Cells<\/a>“
\n\uff30\uff0d\uff12\uff18 Yuki Uchida (Kumamoto University)
\n\u3000\u3000\u3000”The Electronic-Structure Informatics Web Platform for Discovery of Functional Molecules<\/a>“
\n\uff30\uff0d\uff12\uff19 Y. Tsutsumi (Kumamoto University)
\n\u3000\u3000\u3000”Locally-Described Electronic-Structure Informatics: An Application to Predict Regioselectivity of Glutathione Adducts to Quinone Derivatives<\/a>“
\n\uff30\uff0d\uff13\uff10 Kariya Kosuke (Keio University)
\n\u3000\u3000\u3000”Prediction of Excitation States of Cerium Complexes via Machine Learning<\/a>“
\n\uff30\uff0d\uff13\uff11 C. Motono (AIST)
\n\u3000\u3000\u3000”A search method for novel protein functional site based on the spatial distribution of disease-associated missense variants<\/a>“
\n\uff30\uff0d\uff13\uff12 Riho Somaki (Keio University)
\n\u3000\u3000\u3000”Development of molecular structure search method with Bayesian optimization<\/a>“
\n\uff30\uff0d\uff13\uff13 Andrew Jonathan Brahms Simangunsong (UNIVERSITAS INDONESIA)
\n\u3000\u3000\u3000”AI-Driven Virtual Screening and Molecular Docking for Identifying Potential SARS-CoV-2 Inhibitors from Indonesian Marine and Herbal Resources<\/a>“
\n\uff30\uff0d\uff13\uff14 Yuta Aoki (Schr\u00f6dinger, K.K.)
\n\u3000\u3000\u3000”Scaling law for machine learning of chemically functionalized metal organic frameworks<\/a>“<\/p>\n","protected":false},"excerpt":{"rendered":"

8th Autumn School of Chemoinformatics in Nara The biennial occurrence of the Autumn School on Chemoinformatics marks a significant milestone as it reaches its 8th 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 […]<\/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=4701","_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\/4812"}],"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=4812"}],"version-history":[{"count":86,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4812\/revisions"}],"predecessor-version":[{"id":5090,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/posts\/4812\/revisions\/5090"}],"wp:attachment":[{"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/media?parent=4812"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/categories?post=4812"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/tags?post=4812"},{"taxonomy":"event_taxonomy","embeddable":true,"href":"http:\/\/www-dsc.naist.jp\/dsc_naist\/wp-json\/wp\/v2\/event_taxonomy?post=4812"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}