Tomoyuki Miyao

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 16

Top Topics

Virtual Screening

Molecular Structure

Topological Features

Top Venues

J. Chem. Inf. Model.

J. Comput. Aided Mol. Des.

J. Cheminformatics

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. J. Chem. Inf. Model. 64 (14) (2024)
Haixin Wang, Jian Yang, Ryohei Katayama, Michiya Matsusaki, Tomoyuki Miyao, Jinjia Zhou
NuclSeg: nuclei segmentation using semi-supervised stain deconvolution. MMAsia (2023)
Shunsuke Tamura, Tomoyuki Miyao, Jürgen Bajorath
Large-scale prediction of activity cliffs using machine and deep learning methods of increasing complexity. J. Cheminformatics 15 (1) (2023)
Itsuki Maeda, Akinori Sato, Shunsuke Tamura, Tomoyuki Miyao
Ligand-based approaches to activity prediction for the early stage of structure-activity-relationship progression. J. Comput. Aided Mol. Des. 36 (3) (2022)
Hiroshi Nakano, Tomoyuki Miyao, Swarit Jasial, Kimito Funatsu
Sparse Topological Pharmacophore Graphs for Interpretable Scaffold Hopping. J. Chem. Inf. Model. 61 (7) (2021)
Akinori Sato, Tomoyuki Miyao, Swarit Jasial, Kimito Funatsu
Comparing predictive ability of QSAR/QSPR models using 2D and 3D molecular representations. J. Comput. Aided Mol. Des. 35 (2) (2021)
Hiroshi Nakano, Tomoyuki Miyao, Kimito Funatsu
Exploring Topological Pharmacophore Graphs for Scaffold Hopping. J. Chem. Inf. Model. 60 (4) (2020)
Tomoyuki Miyao, Kimito Funatsu, Jürgen Bajorath
Exploring Alternative Strategies for the Identification of Potent Compounds Using Support Vector Machine and Regression Modeling. J. Chem. Inf. Model. 59 (3) (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. J. Comput. Aided Mol. Des. 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. J. Chem. Inf. Model. 59 (6) (2019)
Tomoyuki Miyao, Kimito Funatsu, Jürgen Bajorath
Three-Dimensional Activity Landscape Models of Different Design and Their Application to Compound Mapping and Potency Prediction. J. Chem. Inf. Model. 59 (3) (2019)
Tomoyuki Miyao, Kimito Funatsu
Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties. J. Chem. Inf. Model. 59 (6) (2019)
Tomoyuki Miyao, Jürgen Bajorath
Exploring ensembles of bioactive or virtual analogs of X-ray ligands for shape similarity searching. J. Comput. Aided Mol. Des. 32 (7) (2018)
Tomoyuki Miyao, Kimito Funatsu, Jürgen Bajorath
Exploring differential evolution for inverse QSAR analysis. F1000Research 6 (2017)
Tomoyuki Miyao, Hiromasa Kaneko, Kimito Funatsu
to x). J. Chem. Inf. Model. 56 (2) (2016)
Tomoyuki Miyao, Hiromasa Kaneko, Kimito Funatsu
Ring system-based chemical graph generation for de novo molecular design. J. Comput. Aided Mol. Des. 30 (5) (2016)