Research field (3)：
Pharmaceuticals - chemistry and drug development
, Biological, health, and medical informatics
, Biological, health, and medical informatics
Research keywords (7)：
Bioinformatics
, Chemoinformatics
, AI-driven drug discovery
, machine learning
, Chemical library
, Mid-sized molecule
, Database
Research theme for competitive and other funds (1)：
2022 - 2025 Development of an artificial intelligence-based drug discovery technique for mid-sized molecules targeting new protein–protein interaction
Papers (10)：
Yugo Shimizu, Tomoki Yonezawa, Yu Bao, Junichi Sakamoto, Mariko Yokogawa, Toshio Furuya, Masanori Osawa, Kazuyoshi Ikeda. Applying deep learning to iterative screening of medium-sized molecules for protein-protein interaction-targeted drug discovery. Chemical communications (Cambridge, England). 2023. 59. 44. 6722-6725
Yugo Shimizu, Tomoki Yonezawa, Junichi Sakamoto, Toshio Furuya, Masanori Osawa, Kazuyoshi Ikeda. Identification of novel inhibitors of Keap1/Nrf2 by a promising method combining protein-protein interaction-oriented library and machine learning. Scientific reports. 2021. 11. 1. 7420-7420
Tsuyoshi Esaki, Keiko Kumazawa, Kazutoshi Takahashi, Reiko Watanabe, Tomohide Masuda, Hirofumi Watanabe, Yugo Shimizu, Akitoshi Okada, Seisuke Takimoto, Tomohiro Shimada, et al. Open Innovation Platform using Cloud-based Applications and Collaborative Space: A Case Study of Solubility Prediction Model Development. Chem-Bio Informatics Journal. 2020. 20. 0. 5-18
Yugo Shimizu, Hiroyuki Ogata, Susumu Goto. Discriminating the reaction types of plant type III polyketide synthases. Bioinformatics (Oxford, England). 2017. 33. 13. 1937-1943
Yugo Shimizu, Hiroyuki Ogata, Susumu Goto. Type III Polyketide Synthases: Functional Classification and Phylogenomics. Chembiochem : a European journal of chemical biology. 2017. 18. 1. 50-65
Development of a new method for constructing core library using predicted bioactivity information
(The 140th Annual Meeting of the Pharmaceutical Society of Japan 2020)
Development of the method for constructing core libraries using bioactivity information
(The 47th Symposium of Structure-Activity Relationships 2019)
Development of data curation and integration protocol for chemical library in early drug discovery
(CBI Annual Meeting 2019 2019)
Development of an informatics system for diversity of compound library
(CBI Annual Meeting 2018 2018)
A Structure-Free Method for Bioactive Diversity Analysis of Compound Libraries
(The 45th Symposium of Structure-Activity Relationships 2017)
2021/01 - 2021/10 Chem-Bio Informatics Society CBI Annual Meeting 2021 Program Committee
2020/09 - 2020/10 Chem-Bio Informatics Society CBI Annual Meeting 2020 Program Committee
Awards (1)：
2015/10 - Japanese Society for Bioinformatics Informatics In Biology, Medicine and Pharmacology 2015, Research encouragement award Relating the reaction types and phylogeny of type III polyketide synthases
