Research field (2)：
Biological, health, and medical informatics
, Pharmaceuticals - chemistry and drug development
Research keywords (8)：
SBDD
, hERG
, cheminformatics
, in silico drug discovery
, cardiotoxicity
, support vector machine
, deep learning
, machine learning
Research theme for competitive and other funds (2)：
2023 - 2026 Construction of a predictive model for antigen-antibody interaction energies using the FMO database
2013 - 2015 Drug side effect prediction based on the machine learning of small molecule-protein interaction profiles
Papers (27)：
Yosuke Nishigaya, Shohei Takase, Tatsunobu Sumiya, Ko Kikuzato, Takashi Hiroyama, Yuki Maemoto, Komei Aoki, Tomohiro Sato, Hideaki Niwa, Shin Sato, et al. Discovery of potent substrate-type lysine methyltransferase G9a inhibitors for the treatment of sickle cell disease. European journal of medicinal chemistry. 2025. 293. 117721-117721
Shoichi Ishida, Tomohiro Sato, Teruki Honma, Kei Terayama. Large language models open new way of AI-assisted molecule design for chemists. Journal of Cheminformatics. 2025. 17. 1
Tatsuya Yoshizawa, Shoichi Ishida, Tomohiro Sato, Masateru Ohta, Teruki Honma, Kei Terayama. A data-driven generative strategy to avoid reward hacking in multi-objective molecular design. Nature Communications. 2025. 16. 1
Ken-Ichi Takayama, Tomohiro Sato, Teruki Honma, Minoru Yoshida, Satoshi Inoue. Inhibition of PSF activity overcomes resistance to treatment in cancers harboring mutant p53. Molecular cancer therapeutics. 2024. 24. 3. 370-383
Yosuke Nishigaya, Shohei Takase, Tatsunobu Sumiya, Tomohiro Sato, Hideaki Niwa, Shin Sato, Akiko Nakata, Seiji Matsuoka, Yuki Maemoto, Noriaki Hashimoto, et al. Structure-based development of novel substrate-type G9a inhibitors as epigenetic modulators for sickle cell disease treatment. Bioorganic & medicinal chemistry letters. 2024. 110. 129856-129856
小田島大貴, 宮川柊兵, 半田佑磨, 古石誉之, 米持悦生, 佐藤朋広, 幸瞳, 本間光貴, 高谷大輔, 上村みどり, et al. Study of novel inhibitors of m-Glu5 using fragment molecular orbital method. 日本薬学会年会要旨集(Web). 2024. 144th
Preparation of 4-[3-(3-pyridyl)-4-pyrazolyl]pyrimidin-2-amine derivatives as BMP-signal pathway inhibitors
Books (1)：
in silico創薬におけるスクリーニングの高速化・高精度化技術
技術情報協会 2018 ISBN:4861046882
Lectures and oral presentations (4)：
Customizing applicability domain of a machine learning model using transfer learning
(MOE Forum 2021 2021)
Development of an informatics system for predicting cardiotoxicity: 5. Quantitative model for hERG blocking small molecules based on the integrated database
(CBI Annual meeting 2018 2018)
Adverse effect prediction by random forests model using polypharmacological profile of a small compound
(CBI Annual meeting 2015 2015)
