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In this study, we designed a novel computational method for drug search and design using cell\u2010specific correlations between drugs and diseases. A data completion technique allowed the characterization of cell\u2010specific gene expression patterns in diseased cells. This proposed method was applied to search for drug candidates and generate new chemical structures for gastric cancer and atopic dermatitis. The results of drug search demonstrated that compounds with diverse chemical structures were detected and were associated with target diseases at the molecular pathway levels. The results of drug design also demonstrated that newly generated compounds were reasonable in terms of the reproducibility of registered drugs. The proposed method is expected to be useful for omics\u2010based drug discovery.<\/jats:p>","DOI":"10.1002\/minf.2444","type":"journal-article","created":{"date-parts":[[2025,6,25]],"date-time":"2025-06-25T11:54:52Z","timestamp":1750852492000},"update-policy":"https:\/\/doi.org\/10.1002\/crossmark_policy","source":"Crossref","is-referenced-by-count":0,"title":["Drug Search and Design Considering Cell Specificity of Chemically Induced Gene Expression Profiles for Disease\u2010Associated Tissues"],"prefix":"10.1002","volume":"44","author":[{"given":"Chikashige","family":"Yamanaka","sequence":"first","affiliation":[{"name":"Department of Bioscience and Bioinformatics Faculty of Computer Science and Systems Engineering Kyushu Institute of Technology  Fukuoka Japan"},{"name":"Graduate School of Informatics Nagoya University  Nagoya Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Michio","family":"Iwata","sequence":"additional","affiliation":[{"name":"Department of Bioscience and Bioinformatics Faculty of Computer Science and Systems Engineering Kyushu Institute of Technology  Fukuoka Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Kazuma","family":"Kaitoh","sequence":"additional","affiliation":[{"name":"Graduate School of Informatics Nagoya University  Nagoya Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"ORCID":"https:\/\/orcid.org\/0000-0003-2279-8773","authenticated-orcid":false,"given":"Yoshihiro","family":"Yamanishi","sequence":"additional","affiliation":[{"name":"Department of Bioscience and Bioinformatics Faculty of Computer Science and Systems Engineering Kyushu Institute of Technology  Fukuoka Japan"},{"name":"Graduate School of Informatics Nagoya University  Nagoya Japan"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"311","published-online":{"date-parts":[[2025,6,25]]},"reference":[{"key":"e_1_2_9_2_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.jhealeco.2016.01.012"},{"key":"e_1_2_9_3_1","doi-asserted-by":"publisher","DOI":"10.1001\/jama.2020.1166"},{"key":"e_1_2_9_4_1","doi-asserted-by":"publisher","DOI":"10.3390\/molecules28031038"},{"key":"e_1_2_9_5_1","doi-asserted-by":"publisher","DOI":"10.1038\/srep40164"},{"key":"e_1_2_9_6_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-91625-1"},{"key":"e_1_2_9_7_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.isci.2024.109388"},{"key":"e_1_2_9_8_1","doi-asserted-by":"publisher","DOI":"10.1126\/science.1132939"},{"key":"e_1_2_9_9_1","doi-asserted-by":"publisher","DOI":"10.1073\/pnas.1000138107"},{"key":"e_1_2_9_10_1","doi-asserted-by":"publisher","DOI":"10.1126\/scitranslmed.3002648"},{"key":"e_1_2_9_11_1","doi-asserted-by":"publisher","DOI":"10.1093\/jamia\/ocab165"},{"key":"e_1_2_9_12_1","doi-asserted-by":"publisher","DOI":"10.1038\/s42003-022-03564-w"},{"key":"e_1_2_9_13_1","doi-asserted-by":"publisher","DOI":"10.1016\/j.csbj.2022.10.046"},{"key":"e_1_2_9_14_1","doi-asserted-by":"publisher","DOI":"10.3389\/fmed.2023.1159453"},{"key":"e_1_2_9_15_1","doi-asserted-by":"publisher","DOI":"10.1111\/cas.12183"},{"key":"e_1_2_9_16_1","doi-asserted-by":"publisher","DOI":"10.1186\/s13073-014-0095-1"},{"key":"e_1_2_9_17_1","doi-asserted-by":"publisher","DOI":"10.1158\/0008-5472.CAN-13-3540"},{"key":"e_1_2_9_18_1","doi-asserted-by":"publisher","DOI":"10.3390\/cancers12102730"},{"key":"e_1_2_9_19_1","doi-asserted-by":"publisher","DOI":"10.1038\/s41598-021-91629-x"},{"key":"e_1_2_9_20_1","doi-asserted-by":"publisher","DOI":"10.3390\/cancers13215492"},{"key":"e_1_2_9_21_1","doi-asserted-by":"publisher","DOI":"10.1186\/s12967-024-06046-1"},{"key":"e_1_2_9_22_1","doi-asserted-by":"publisher","DOI":"10.1002\/minf.202300064"},{"key":"e_1_2_9_23_1","first-page":"32","volume":"23","author":"Hodos R.","year":"2018","journal-title":"Pacific Symposium on Biocomputing"},{"key":"e_1_2_9_24_1","doi-asserted-by":"publisher","DOI":"10.1093\/bioinformatics\/btz313"},{"key":"e_1_2_9_25_1","doi-asserted-by":"publisher","DOI":"10.1021\/acs.jcim.3c00824"},{"key":"e_1_2_9_26_1","doi-asserted-by":"publisher","DOI":"10.1039\/D1SC01050F"},{"key":"e_1_2_9_27_1","doi-asserted-by":"publisher","DOI":"10.3322\/caac.21492"},{"key":"e_1_2_9_28_1","first-page":"adv00830","volume":"102","author":"Augustin M.","year":"2022","journal-title":"Acta Dermatology and Therapy"},{"key":"e_1_2_9_29_1","doi-asserted-by":"publisher","DOI":"10.1186\/gb-2003-4-9-r60"},{"key":"e_1_2_9_30_1","doi-asserted-by":"publisher","DOI":"10.3390\/ijms21114012"},{"key":"e_1_2_9_31_1","doi-asserted-by":"publisher","DOI":"10.7150\/ijms.45765"},{"issue":"4","key":"e_1_2_9_32_1","first-page":"523","volume":"75","author":"Buys L. 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