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Organic Chemistry

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Theoretical and Computational Chemistry

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Yasubumi Sakakibara

4 results in Authors: Yasubumi Sakakibara

Organic Chemistry

Development of a novel PKC ligand using machine learning model: synthesis and PKC surrogate binding of the simplified analogues of alotaketals

Jumpei Maki, Asami Oshimura, Chihiro Tsukano, Ryo Yanagita, Yutaka Saito, Yasubumi Sakakibara, Kazuhiro Irie

Version 1 posted 06 May 2022

211

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Theoretical and Computational Chemistry

Deep generative model of constructing chemical latent space for large molecular structures with 3D complexity

Toshiki Ochiai, Tensei Inukai, Manato Akiyama, Kairi Furui, Masahito Ohue, Nobuaki Matsumori, Shinsuke Inuki, Motonari Uesugi, Toshiaki Sunazuka, Kazuya Kikuchi, Hideaki Kakeya, Yasubumi Sakakibara

Version 2 posted 29 May 2023

722

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Theoretical and Computational Chemistry

Deep learning of multimodal networks with topological regularization for drug repositioning

Yuto Ohnuki, Manato Akiyama, Yasubumi Sakakibara

Version 1 posted 10 January 2024

215

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Theoretical and Computational Chemistry

A Tree-Transformer based VAE with fragment tokenization for large chemical models

Tensei Inukai, Aoi Yamato, Manato Akiyama, Yasubumi Sakakibara

Version 2 posted 24 June 2024

204

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