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Theoretical and Computational Chemistry

Working Paper

AI-Driven Synthetic Route Design with Retrosynthesis Knowledge

Shoichi Ishida, Kei Terayama, Ryosuke Kojima, Kiyosei Takasu, Yasushi Okuno

Version 1 posted 18 December 2020

1,037

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1

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Theoretical and Computational Chemistry

Working Paper

Prediction and Interpretable Visualization of Synthetic Reactions Using Graph Convolutional Networks

Shoichi Ishida, Kei Terayama, ryosuke kojima, Kiyosei Takasu, Yasushi Okuno

Version 1 posted 01 July 2019

1,016

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Analytical Chemistry

Working Paper

kGCN: A Graph-Based Deep Learning Framework for Chemical Structures

Ryosuke Kojima, Shoichi Ishida, Masateru Ohta, Hiroaki Iwata, Teruki Honma, Yasushi Okuno

Version 1 posted 19 February 2020

903

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Biological and Medicinal Chemistry

Working Paper

Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples

Takuto Koyama, Shigeyuki Matsumoto, Hiroaki Iwata, Ryosuke Kojima, Yasushi Okuno

Version 1 posted 22 February 2023

347

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Materials Science

Working Paper

Early stage growth process of dinaphtho[2, 3-b:2', 3'-f]thieno[3, 2-b]thiophene (DNTT) thin film

Nobuya HIROSHIBA, Yuta Kawano, Richard Ongko, Ryosuke Matsubara, Atsushi Kubono, Hirotaka Kojima, Kazuto Koike

Version 1 posted 04 April 2023

204

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Biological and Medicinal Chemistry

Working Paper

Development of near-infrared fluorescence probe for the selective detection of severe hypoxia

Takafumi Kasai, Kyohhei Fujita, Toru Komatsu, Tasuku Ueno, Ryosuke Kojima, Kenjiro Hanaoka, Yasuteru Urano

Version 1 posted 02 May 2023

806

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Biological and Medicinal Chemistry

Working Paper

VGAE-MCTS: a New Molecular Generative Model combining Variational Graph Auto-Encoder and Monte Carlo Tree Search

Hiroaki Iwata, Taichi Nakai, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yasushi Okuno

Version 2 posted 05 June 2023

753

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Biological and Medicinal Chemistry

Working Paper

Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization

Shoma Ito, Takuto Koyama, Shigeyuki Matsumoto, Ryosuke Kojima, Yuji Okamoto, Masataka Kuroda, Hitoshi Kawashima, Reiko Watanabe, Tomoki Yonezawa, Takaaki Sumiyoshi, Kazuyoshi Ikeda, Kenji Mizuguchi, Hiroaki Iwata, Yasushi Okuno

Version 1 posted 25 April 2025

152

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Biological and Medicinal Chemistry

Working Paper

New class of fluorogenic probes for antigens based on DARPin-silicon pyronine conjugates

Mamiko Nakadate, Ryosuke Kojima, Naoki Seike, Ryo Tachibana, Kyohhei Fujita, Mako Kamiya, Andreas Plückthun, Yasuteru Urano

Version 1 posted 11 December 2024

317

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Biological and Medicinal Chemistry

Working Paper

Genetic code expansion–driven in situ click labeling enables rapid imaging-based selection of functional nanobody–dye conjugates

Naoki Seike, Ryosuke Kojima, Ryo Tachibana, Kyohhei Fujita, Yasuteru Urano

Version 1 posted 27 May 2025

99

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Refine Search

10 results in ryosuke kojima in Authors: ryosuke kojima

AI-Driven Synthetic Route Design with Retrosynthesis Knowledge

Prediction and Interpretable Visualization of Synthetic Reactions Using Graph Convolutional Networks

kGCN: A Graph-Based Deep Learning Framework for Chemical Structures

Improving Compound-Protein Interaction Prediction by Self-Training with Augmenting Negative Samples

Early stage growth process of dinaphtho[2, 3-b:2', 3'-f]thieno[3, 2-b]thiophene (DNTT) thin film

Development of near-infrared fluorescence probe for the selective detection of severe hypoxia

VGAE-MCTS: a New Molecular Generative Model combining Variational Graph Auto-Encoder and Monte Carlo Tree Search

Improving ADME Prediction with Multitask Graph Neural Networks and Assessing Explainability in Lead Optimization

New class of fluorogenic probes for antigens based on DARPin-silicon pyronine conjugates

Genetic code expansion–driven in situ click labeling enables rapid imaging-based selection of functional nanobody–dye conjugates

10 results in Authors: ryosuke kojima