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ACS Omega
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August 8, 2022
Extended Connectivity Fingerprints as a Chemical Reaction Representation for Enantioselective Organophosphorus-Catalyzed Asymmetric Reaction Prediction
Ryosuke Asahara, Tomoyuki Miyao
Journal of Computer-Aided Molecular Design
|
July 4, 2018
Exploring ensembles of bioactive or virtual analogs of X-ray ligands for shape similarity searching
Tomoyuki Miyao, Jürgen Bajorath
ACS Omega
|
May 13, 2022
Visualization of Topological Pharmacophore Space with Graph Edit Distance
Hiroshi Nakano, Tomoyuki Miyao
Molecular Informatics
|
April 22, 2017
Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor Space
Tomoyuki Miyao, Kimito Funatsu
Journal of Chemical Information and Modeling
|
May 7, 2019
Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties
Tomoyuki Miyao, Kimito Funatsu
Molecular Informatics
|
July 21, 2025
Rapid Assessment of Virtually Synthesizable Chemical Structures via Support Vector Machine Models
Yuto Iwasaki, Tomoyuki Miyao
Journal of Chemical Information and Modeling
|
April 16, 2026
Machine Learning Prediction for Fe(II) Spin-Crossover Complex in the Same Spin State Using Geometrical and Topological Descriptors
Natsumi Okawa, Tomoyuki Miyao
Journal of Chemical Information and Modeling
|
March 18, 2025
Understanding Conformation Importance in Data-Driven Property Prediction Models
Yu Hamakawa, Tomoyuki Miyao
Journal of Chemical Information and Modeling
|
May 7, 2019
Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure
Shunsuke Tamura, Tomoyuki Miyao, Kimito Funatsu
Journal of Computer-Aided Molecular Design
|
June 15, 2016
Ring system-based chemical graph generation for de novo molecular design
Tomoyuki Miyao, Hiromasa Kaneko, Kimito Funatsu
Page
of 6
Search research articles
Search
Showing results (1-10 of 56) with videos related to
Sort By:
Page
of 6
ACS Omega
|
August 8, 2022
Extended Connectivity Fingerprints as a Chemical Reaction Representation for Enantioselective Organophosphorus-Catalyzed Asymmetric Reaction Prediction
Ryosuke Asahara, Tomoyuki Miyao
Journal of Computer-Aided Molecular Design
|
July 4, 2018
Exploring ensembles of bioactive or virtual analogs of X-ray ligands for shape similarity searching
Tomoyuki Miyao, Jürgen Bajorath
ACS Omega
|
May 13, 2022
Visualization of Topological Pharmacophore Space with Graph Edit Distance
Hiroshi Nakano, Tomoyuki Miyao
Molecular Informatics
|
April 22, 2017
Finding Chemical Structures Corresponding to a Set of Coordinates in Chemical Descriptor Space
Tomoyuki Miyao, Kimito Funatsu
Journal of Chemical Information and Modeling
|
May 7, 2019
Iterative Screening Methods for Identification of Chemical Compounds with Specific Values of Various Properties
Tomoyuki Miyao, Kimito Funatsu
Molecular Informatics
|
July 21, 2025
Rapid Assessment of Virtually Synthesizable Chemical Structures via Support Vector Machine Models
Yuto Iwasaki, Tomoyuki Miyao
Journal of Chemical Information and Modeling
|
April 16, 2026
Machine Learning Prediction for Fe(II) Spin-Crossover Complex in the Same Spin State Using Geometrical and Topological Descriptors
Natsumi Okawa, Tomoyuki Miyao
Journal of Chemical Information and Modeling
|
March 18, 2025
Understanding Conformation Importance in Data-Driven Property Prediction Models
Yu Hamakawa, Tomoyuki Miyao
Journal of Chemical Information and Modeling
|
May 7, 2019
Development of R-Group Fingerprints Based on the Local Landscape from an Attachment Point of a Molecular Structure
Shunsuke Tamura, Tomoyuki Miyao, Kimito Funatsu
Journal of Computer-Aided Molecular Design
|
June 15, 2016
Ring system-based chemical graph generation for de novo molecular design
Tomoyuki Miyao, Hiromasa Kaneko, Kimito Funatsu
Page
of 6