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Molecular Graph Generation by Decomposition and Reassembling

Yamada, M; Sugiyama, M

Yamada, M; Sugiyama, M (通讯作者),Grad Univ Adv Studies, SOKENDAI, Sch Multidisciplinary Sci, Dept Informat, Hayama, Kanagawa 2400115, Japan.;Yamada, M; Sugiyama, M (通讯作者),Natl Inst Informat, Tokyo 1018430, Japan.;Yamada, M (通讯作者),AGC Inc, Innovat Technol Labs, Yokohama, Kanagawa 2300045, Japan.

ACS OMEGA, 2023; 8 (22): 19575

Abstract

Designing molecularstructures with desired chemical propertiesis an essential task in drug discovery and materials design. However,finding molecules w......

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