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Koichi Handa

5 results in Authors: Koichi Handa

Theoretical and Computational Chemistry

Development of Novel Methods for QSAR Modeling by Machine Learning Repeatedly: A Case Study on Drug Distribution to Each Tissue

Koichi Handa, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima

Version 2 posted 04 April 2024

180

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Theoretical and Computational Chemistry

Development of a practical in silico method for predicting compound brain concentration-time profiles in mice: combination of modeling and machine learning simulation

Koichi Handa, Daichi Fujita, Mariko Hirano, Saki Yoshimura, Michiharu Kageyama, Takeshi Iijima

Version 1 posted 20 March 2024

58

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Theoretical and Computational Chemistry

Prediction of Inhibitory Activity Against the MATE1 Transporter via Combined Fingerprint- and Physics-Based Machine Learning Models

Koichi Handa, Shunta Sasaki, Satoshi Asano, Michiharu Kageyama, Takeshi Iijima, Andreas Bender

Version 1 posted 13 March 2024

127

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Theoretical and Computational Chemistry

Combined Data-driven and Mechanism-based Approaches for Human-Intestinal-Absorption Prediction in Early Drug-Discovery Stage

Koichi Handa, Sakae Sugiyama, Michiharu Kageyama, Takeshi Iijima

Version 1 posted 19 July 2023

220

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Theoretical and Computational Chemistry

On The Difficulty of Validating Molecular Generative Models Realistically: A Case Study on Public and Proprietary Data

Koichi Handa, Morgan Thomas, Michiharu Kageyama, Takeshi Iijima, Andreas Bender

Version 2 posted 20 November 2023

651

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