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Materials Informatics
Understanding the evolution of a de novo molecule generator via characteristic functional group monitoring
Takehiro Fujitaa Polymer Design Group, Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)Data-driven, Tsukuba, JapanView further author information
, Kei Terayamab Graduate School of Medical Life Science, Yokohama City University, Tsurumi-ku, Japan;c RIKEN Center for Advanced Intelligence Project, RIKEN Center for Advanced Intelligence Project, Tokyo, JapanView further author information
, Masato Sumitac RIKEN Center for Advanced Intelligence Project, RIKEN Center for Advanced Intelligence Project, Tokyo, Japan;d International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, JapanCorrespondence[email protected]
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Ryo Tamurac RIKEN Center for Advanced Intelligence Project, RIKEN Center for Advanced Intelligence Project, Tokyo, Japan;d International Center for Materials Nanoarchitectonics (WPI-MANA), National Institute for Materials Science (NIMS), Tsukuba, Japan;e Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science (NIMS), Tsukuba, Japan;f Graduate School of Frontier Sciences, The University of Tokyo, Kashiwa, Japan
https://orcid.org/0000-0002-0349-358XView further author information
Yasuyuki Nakamuraa Polymer Design Group, Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)Data-driven, Tsukuba, JapanView further author information
, Masanobu Naitoa Polymer Design Group, Research and Services Division of Materials Data and Integrated System (MaDIS), National Institute for Materials Science (NIMS)Data-driven, Tsukuba, Japan
https://orcid.org/0000-0001-7198-819XView further author information
Koji Tsudac RIKEN Center for Advanced Intelligence Project, RIKEN Center for Advanced Intelligence Project, Tokyo, Japan;e Research and Services Division of Materials Data and Integrated System, National Institute for Materials Science (NIMS), Tsukuba, Japan;f Graduate School of Frontier Sciences, The University of Tokyo, Kashiwa, JapanCorrespondence[email protected]
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Pages 352-360
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Received 02 Mar 2022, Accepted 04 May 2022, Published online: 01 Jun 2022
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