Tomoyuki Miyao

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 22

Top Topics

Molecular Docking

Top Venues

Journal of chemical information and modeling

ACS pharmacology & translational science

Journal of computer-aided molecular design

This page only lists publications with an associated author ORCID identifier.

Publications

Itsuki Maeda, Shunsuke Tamura, Yoshihiro Ogura, Takayuki Serizawa, Takashi Shimada, Ryo Kunimoto, Tomoyuki Miyao
Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test. Journal of chemical information and modeling 64 (14) (2024)
Raku Shirasawa, Katsushi Takaki, Tomoyuki Miyao
Generalizability Improvement of Interpretable Symbolic Regression Models for Quantitative Structure-Activity Relationships. ACS omega 9 (8) (2024)
Rezi Riadhi Syahdi, Swarit Jasial, Itsuki Maeda, Tomoyuki Miyao
Bridging Structure- and Ligand-Based Virtual Screening through Fragmented Interaction Fingerprint. ACS omega 9 (37) (2024)
Itsuki Maeda, Shunsuke Tamura, Yoshihiro Ogura, Takayuki Serizawa, Takashi Shimada, Ryo Kunimoto, Tomoyuki Miyao
Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test. Journal of chemical information and modeling (2024)
Itsuki Maeda, Shunsuke Tamura, Yoshihiro Ogura, Takayuki Serizawa, Takashi Shimada, Ryo Kunimoto, Tomoyuki Miyao
Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test. Journal of chemical information and modeling 64 (14) (2024)
Itsuki Maeda, Shunsuke Tamura, Yoshihiro Ogura, Takayuki Serizawa, Takashi Shimada, Ryo Kunimoto, Tomoyuki Miyao
Scaffold-Hopped Compound Identification by Ligand-Based Approaches with a Prospective Affinity Test. Journal of chemical information and modeling 64 (14) (2024)
Raku Shirasawa, Katsushi Takaki, Tomoyuki Miyao
Generalizability Improvement of Interpretable Symbolic Regression Models for Quantitative Structure-Activity Relationships. ACS omega 9 (8) (2024)
Araki Wakiuchi, Swarit Jasial, Shigehito Asano, Ryo Hashizume, Miho Hatanaka, Yu-Ya Ohnishi, Takamitsu Matsubara, Hiroharu Ajiro, Tetsunori Sugawara, Mikiya Fujii, Tomoyuki Miyao
Chemometrics Approach Based on Wavelet Transforms for the Estimation of Monomer Concentrations from FTIR Spectra. ACS omega 8 (22) (2023)
Kanta Matsunaga, Takuto Harada, Shintaro Harada, Akinori Sato, Shota Terai, Mutsunori Uenuma, Tomoyuki Miyao, Yukiharu Uraoka
Interface State Density Prediction between an Insulator and a Semiconductor by Gaussian Process Regression Models for a Modified Process. ACS omega 8 (30) (2023)
Swarit Jasial, Jieying Hu, Tomoyuki Miyao, Yui Hirama, Shintaro Onishi, Ryoichi Matsui, Koji Osaki, Kimito Funatsu
Screening and Validation of Odorants against Influenza A Virus Using Interpretable Regression Models. ACS pharmacology & translational science 6 (1) (2022)
Hiroshi Nakano, Tomoyuki Miyao
Visualization of Topological Pharmacophore Space with Graph Edit Distance. ACS omega 7 (16) (2022)
Swarit Jasial, Jieying Hu, Tomoyuki Miyao, Yui Hirama, Shintaro Onishi, Ryoichi Matsui, Koji Osaki, Kimito Funatsu
Screening and Validation of Odorants against Influenza A Virus Using Interpretable Regression Models. ACS pharmacology & translational science 6 (1) (2022)
Itsuki Maeda, Akinori Sato, Shunsuke Tamura, Tomoyuki Miyao
Ligand-based approaches to activity prediction for the early stage of structure-activity-relationship progression. Journal of computer-aided molecular design 36 (3) (2022)
Ryosuke Asahara, Tomoyuki Miyao
Extended Connectivity Fingerprints as a Chemical Reaction Representation for Enantioselective Organophosphorus-Catalyzed Asymmetric Reaction Prediction. ACS omega 7 (30) (2022)
Hiroshi Nakano, Tomoyuki Miyao, Jasial Swarit, Kimito Funatsu
Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping. Journal of chemical information and modeling 61 (7) (2021)
Katsuhisa Matsumoto, Tomoyuki Miyao, Kimito Funatsu
Ranking-Oriented Quantitative Structure-Activity Relationship Modeling Combined with Assay-Wise Data Integration. ACS omega 6 (18) (2021)
Shunsuke Tamura, Swarit Jasial, Tomoyuki Miyao, Kimito Funatsu
Interpretation of Ligand-Based Activity Cliff Prediction Models Using the Matched Molecular Pair Kernel. Molecules (Basel, Switzerland) 26 (16) (2021)
Hiroshi Nakano, Tomoyuki Miyao, Kimito Funatsu
Exploring Topological Pharmacophore Graphs for Scaffold Hopping. Journal of chemical information and modeling 60 (4) (2020)
Shunsuke Tamura, Tomoyuki Miyao, Kimito Funatsu
Ligand-based Activity Cliff Prediction Models with Applicability Domain. Molecular informatics 39 (12) (2020)
Tomoyuki Miyao, Kimito Funatsu
Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties. Journal of chemical information and modeling 59 (6) (2019)
Tomoyuki Miyao, Swarit Jasial, Jürgen Bajorath, Kimito Funatsu
Evaluation of different virtual screening strategies on the basis of compound sets with characteristic core distributions and dissimilarity relationships. Journal of computer-aided molecular design 33 (8) (2019)
Shunsuke Tamura, Tomoyuki Miyao, Kimito Funatsu
Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure. Journal of chemical information and modeling 59 (6) (2019)