2020 - 2024 Development of Chemical Structure Generation Method Based on Three-dimensional Molecular Representation
Papers (19):
Hiroshi Nakano, Tomoyuki Miyao, Kimito Funatsu. Exploring Topological Pharmacophore Graphs for Scaffold Hopping. Journal of Chemical Information and Modeling. 2020. 60. 4. 2073-2081
Tomoyuki Miyao, Kimito Funatsu. Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties. Journal of Chemical Information and Modeling. 2019. 59. 6. 2626-2641
Hiroshi Nakano, Kenichi Tanaka, Tomoyuki Miyao, Kimito Funatsu, Raku Shirasawa, Shigetaka Tomiya. Prediction of emission and absorption spectra for Eu2+-doped inorganic phosphors based on stoichiometric information. ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY. 2018. 255
Miyao Tomoyuki, Kaneko Hiromasa, Funatsu Kimito. Study on chemical graph generation based on reduced graphs. Proceedings of the Symposium on Chemoinformatics. 2016. 2016. 0. O7
Tomoyuki Miyao, Hiromasa Kaneko, Kimito Funatsu. Ring-system-based Chemical Structure Enumeration for de Novo Design. YAKUGAKU ZASSHI-JOURNAL OF THE PHARMACEUTICAL SOCIETY OF JAPAN. 2016. 136. 1. 101-106
Miyao Tomoyuki, Kaneko Hiromasa, Funatsu Kimito. Study of molecular design based on inverse-QSPR. Proceedings of the Symposium on Chemoinformatics. 2015. 2015. 0. 36-39