Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations

Biao Ma, Kei Terayama, Shigeyuki Matsumoto, Yuta Isaka, Yoko Sasakura, Hiroaki Iwata, Mitsugu Araki, Yasushi Okuno. Structure-Based de Novo Molecular Generator Combined with Artificial Intelligence and Docking Simulations. Journal of Chemical Information and Computer Sciences, 61(7):3304-3313, 2021. [doi]

Authors

Biao Ma

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Kei Terayama

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Shigeyuki Matsumoto

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Yuta Isaka

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Yoko Sasakura

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Hiroaki Iwata

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Mitsugu Araki

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Yasushi Okuno

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