[30-417-am] Informatics, Computer science

Sat. Mar 30, 2024 8:30 AM - 9:42 AM [Room 417] Conference Center 417 (4F)

Chair: Noriyuki Yamaotsu, Daichi Hayakawa

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8:30 AM - 8:42 AM

[30-417-am01] Extraction of drug-specific serious adverse events using JADER multi-drug data

○Yuki Esaka¹, Kazuya Nanzaki², Sumio Matzno², Hidekazu Ouchi², Tetsuyuki Wada², Yoshinori Funakami², Hiroko Hachiken², Naoki Ohboshi¹ (1. Graduate School of Science and Engineering, Kindai University, 2. Dept of Medical Pharmacy, Faculty of Pharmacy, Kindai University)

8:42 AM - 8:54 AM

[30-417-am02S] Machine learning-based prediction of biological targets of drug
candidate compounds from cell morphology images

○Shinya Ishihara¹, Michio Iwata¹, Hiromu Hayashi¹, Momoko Hamano¹, Kazumasa Shimofuruta², Akihiro Kitani², Naomasa Suita², Yoshihiro Yamanishi^1,3 (1. Kyushu Institute of Technology, 2. Ono Pharmaceutical Co., Ltd, 3. Nagoya University)

8:54 AM - 9:06 AM

[30-417-am03S] Gene Ontology estimation from amplicon analysis and genome information of intestinal microbiota

○Kazuki Arita¹, Yoshio Nakano¹, Kazumi Yoshizawa¹, Satoru Miyazaki¹ (1. Grad. Sch. Pharm. Sci., Tokyo Univ of Sci.)

9:06 AM - 9:18 AM

[30-417-am04S] Generation of similar molecular scaffolds in the conformation space

○Kanta Matsunaga¹, Tomoyuki Miyao^1,2 (1. Grad. Sch. Sci. Tech., NAIST, 2. DSC, NAIST)

9:18 AM - 9:30 AM

[30-417-am05S] SARS CoV-2 PL protease inhibitor discovery using docking simulation and structure optimization calculations

○Kazunori miwa¹, Yan Guo¹, Masayuki Hata², Yoshinori Hirano³, Norio Yamamoto⁴, Tyuji Hoshino¹ (1. Grad. Sch. Pharm. Sci., Chiba Univ., 2. College of Pharm. Sci., Matsuyama Univ., 3. Faculty of Sci. and Tech., Keio Univ., 4. Sch. of Med., Tokai Univ.)

9:30 AM - 9:42 AM

[30-417-am06S] Development of a machine learning model for predicting
protein-ligand QM-level interactions

○Ryosuke Kita¹, Hiromu Matsumoto¹, Chiduru Watanabe², Masateru Ohta², Naoki Tanimura³, Koji Okuwaki⁴, Mitsunori Ikeguchi^2,5, Kaori Fukuzawa⁶, Teruki Honma², Tsuyohiko Fujigaya¹, Koichiro Kato¹ (1. Department of Applied Chemistry, Kyushu University, 2. RIKEN Center , 3. Mizuho Research & Technologies, Ltd, 4. JSOL Corporaion, 5. Yokohama City University, 6. Department of Pharmacy, Osaka University)

Session information

[30-417-am] Informatics, Computer science

[30-417-am01] Extraction of drug-specific serious adverse events using JADER multi-drug data

[30-417-am02S] Machine learning-based prediction of biological targets of drug
candidate compounds from cell morphology images

[30-417-am03S] Gene Ontology estimation from amplicon analysis and genome information of intestinal microbiota

[30-417-am04S] Generation of similar molecular scaffolds in the conformation space

[30-417-am05S] SARS CoV-2 PL protease inhibitor discovery using docking simulation and structure optimization calculations

[30-417-am06S] Development of a machine learning model for predicting
protein-ligand QM-level interactions

Authentication

Session information

[30-417-am] Informatics, Computer science

[30-417-am01] Extraction of drug-specific serious adverse events using JADER multi-drug data

[30-417-am02S] Machine learning-based prediction of biological targets of drug candidate compounds from cell morphology images

[30-417-am03S] Gene Ontology estimation from amplicon analysis and genome information of intestinal microbiota

[30-417-am04S] Generation of similar molecular scaffolds in the conformation space

[30-417-am05S] SARS CoV-2 PL protease inhibitor discovery using docking simulation and structure optimization calculations

[30-417-am06S] Development of a machine learning model for predicting protein-ligand QM-level interactions

Authentication

[30-417-am02S] Machine learning-based prediction of biological targets of drug
candidate compounds from cell morphology images

[30-417-am06S] Development of a machine learning model for predicting
protein-ligand QM-level interactions