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Conventional cluster analyses typically use basic features derived from the chemical composition and crystal structure without considering target material properties such as the bandgap and dielectric constant. However, such approaches do not meet demands for grading materials according to properties of interest simultaneously with chemical and structural similarities. Herein, a clustering method grouping similar materials in terms of both the target properties and basic features is proposed. The clustering is compared considering the cohesive energy with that considering the bandgap of metal oxides, showing that their categorizations are clearly different. Further, several clusters classified by the bandgap are analyzed, and coordination environments related to each range of the bandgap are revealed. The clustering for the electronic static dielectric constant identifies a cluster involving several perovskite\u2010type oxides and balancing with the bandgap near the Pareto front. The method enables analyses with different viewpoints from those of the conventional clustering and feature importance analyses by taking the relationship between the target property and the basic features into account.<\/jats:p>","DOI":"10.1002\/aisy.202400253","type":"journal-article","created":{"date-parts":[[2024,8,5]],"date-time":"2024-08-05T15:39:35Z","timestamp":1722872375000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":3,"title":["Target Material Property\u2010Dependent Cluster Analysis of Inorganic Compounds"],"prefix":"10.1002","volume":"6","author":[{"ORCID":"https:\/\/orcid.org\/0000-0002-8661-0410","authenticated-orcid":false,"given":"Nobuya","family":"Sato","sequence":"first","affiliation":[{"name":"Laboratory for Materials and Structures Institute of Innovative Research Tokyo Institute of Technology  R3\u20107, 4259 Nagatsuta, Midori\u2010ku 226\u20108501 Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-3159-9007","authenticated-orcid":false,"given":"Akira","family":"Takahashi","sequence":"additional","affiliation":[{"name":"Laboratory for Materials and Structures Institute of Innovative Research Tokyo Institute of Technology  R3\u20107, 4259 Nagatsuta, Midori\u2010ku 226\u20108501 Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2890-5760","authenticated-orcid":false,"given":"Shin","family":"Kiyohara","sequence":"additional","affiliation":[{"name":"Laboratory for Materials and Structures Institute of Innovative Research Tokyo Institute of Technology  R3\u20107, 4259 Nagatsuta, Midori\u2010ku 226\u20108501 Japan"},{"name":"Institute for Materials Research Tohoku University  2\u20102\u20101 Katahira Aoba\u2010ku Sendai 980\u20108577 Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-3914-248X","authenticated-orcid":false,"given":"Kei","family":"Terayama","sequence":"additional","affiliation":[{"name":"Graduate School of Medical Life Science Yokohama City University  1\u20107\u201029 Suehiro\u2010cho, Tsurumi\u2010ku 230\u20100045 Japan"},{"name":"RIKEN Center for Advanced Intelligence Project  1\u20104\u20101 Nihonbashi, Chuo\u2010ku Tokyo 103\u20100027 Japan"},{"name":"MDX Research Center for Element Strategy International Research Frontiers Initiative Tokyo Institute of Technology  SE\u20106, 4259 Nagatsuta Midori\u2010ku Yokohama 226\u20108501 Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0002-0349-358X","authenticated-orcid":false,"given":"Ryo","family":"Tamura","sequence":"additional","affiliation":[{"name":"Center for Basic Research on Materials National Institute for Materials Science  1\u20101 Namiki Tsukuba 305\u20100044 Japan"},{"name":"Graduate School of Frontier Sciences The University of Tokyo  5\u20101\u20105 Kashiwa\u2010no\u2010ha Kashiwa 277\u20108568 Japan"}]},{"ORCID":"https:\/\/orcid.org\/0000-0001-7178-5333","authenticated-orcid":false,"given":"Fumiyasu","family":"Oba","sequence":"additional","affiliation":[{"name":"Laboratory for Materials and Structures Institute of Innovative Research Tokyo Institute of Technology  R3\u20107, 4259 Nagatsuta, Midori\u2010ku 226\u20108501 Japan"},{"name":"MDX Research Center for Element Strategy International Research Frontiers Initiative Tokyo Institute of Technology  SE\u20106, 4259 Nagatsuta Midori\u2010ku Yokohama 226\u20108501 Japan"}]}],"member":"311","published-online":{"date-parts":[[2024,8,5]]},"reference":[{"key":"e_1_2_8_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/S1369-7021(05)71123-8"},{"key":"e_1_2_8_3_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41586-018-0337-2"},{"key":"e_1_2_8_4_1","doi-asserted-by":"publisher","DOI":"10.1002\/aisy.201900143"},{"key":"e_1_2_8_5_1","doi-asserted-by":"publisher","DOI":"10.1002\/aisy.202200243"},{"key":"e_1_2_8_6_1","doi-asserted-by":"publisher","DOI":"10.1021\/accountsmr.1c00244"},{"key":"e_1_2_8_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.commatsci.2021.110360"},{"key":"e_1_2_8_8_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-022-00884-7"},{"key":"e_1_2_8_9_1","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevMaterials.4.103801"},{"key":"e_1_2_8_10_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41467-020-17945-4"},{"key":"e_1_2_8_11_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41524-020-0337-2"},{"key":"e_1_2_8_12_1","volume-title":"Advances in Neural Information Processing Systems","author":"Lundberg S. 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