This event is invitation-based.
The Second Joint Mini Workshop on Chemical Graph Learning
Learning is one of the fundamental activities of lives. Recent development of advanced tools such as Artificial Intelligence (AI) is promising to help human society reveal "good" (i.e., low-entropy) information from huge data that may be difficult or even impossible for a human to find. Focusing on chemical graph learning, the purpose of this mini workshop is to exchange research results and ideas from each of the labs and researchers and motivate further collaboration toward better understanding on learning chemical graphs and its applications in drug discovery and others.
- Time/Date: Thursday, 3:30pm-7:00pm, January 30th, 2025
- Place: Room 113, Higashiichijo-Kan, Kyoto University (see access)
- Language: English and Japanese
- Organization: Du lab @KIT; Azam Lab @QAU; Haraguchi Lab @KU; Zhao Lab @KU
- Guests: Prof. Akutsu and Prof. Uehara (from KU)
- Coordinator: Li, Yanghepu
- Flyer
Program
| Time (Q&A included) | Speaker | Title | Chair |
|---|---|---|---|
| 15:30 - 15:35 | Liang Zhao | Opening remark | Li, Yanghepu |
| 15:35 - 16:00 | 成田 光伸 (Narita, Koshin) | Fundamental Study on the Extraction of Common Substructures of Compounds through Fragmentation | Li, Yanghepu |
| 16:00 - 16:25 | 武木田 真生 TAKEKIDA, Mao | An Experimental Comparison of Molecular Inference Frameworks: Generative AIs and mol-infer | Li, Yanghepu |
| 16:25 - 16:50 | 朱 見深 (ZHU, Jianshen) | Towards Environment-Sensitive Molecular Inference via Mixed Integer Linear Programming | Li, Yanghepu |
| 16:50 - 17:00 | n/a | Break | Li, Yanghepu |
| 17:00 - 17:25 | 李 楊和璞 LI, Yanghepu | CRoCExplainer: A Tool to Explain Graph Learning with Improved Connectedness Representation | Prof. Azam |
| 17:25 - 17:50 | 左 振宇 ZUO, Zhenyu | Automatic Identification of Significant Chemical Substructures with Graph Neural Networks | Prof. Azam |
| 17:50 - 17:55 | n/a | Break & Zoom connection | Prof. Azam |
| 17:55 - 18:20 | Kanwal Bibi | (online) On the Prediction Performance of Random Forest for QSPR Using Mol-infer | Prof. Azam |
| 18:20 - 18:45 | Raveena Rai | (online) From Single to Multi-Property QSPR: Evolving Mol-infer | Prof. Azam |
| 18:45 - 18:55 | Professors | Comments and ending remark | n/a |
| 18:55 - 19:00 | n/a | Group photo | n/a |