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Phys."],"abstract":"<jats:p>\n                    Two novel molecular feature descriptors (FSD and CORE) and six ensemble learning models were established to study CO\n                    <jats:sub>2<\/jats:sub>\n                    capture in ionic liquids (ILs). The optimal model is CatBoost, and 9 ILs with high CO\n                    <jats:sub>2<\/jats:sub>\n                    capture capacity were designed and screened.\n                  <\/jats:p>","DOI":"10.1039\/d5cp01972a","type":"journal-article","created":{"date-parts":[[2025,6,17]],"date-time":"2025-06-17T03:01:16Z","timestamp":1750129276000},"page":"14482-14491","update-policy":"https:\/\/doi.org\/10.1039\/rsc_crossmark_policy","source":"Crossref","is-referenced-by-count":7,"title":["Machine learning with new functional structure descriptors for design and screening of ionic liquids in CO\n                    <sub>2<\/sub>\n                    efficient capture"],"prefix":"10.1039","volume":"27","author":[{"given":"Ranran","family":"Geng","sequence":"first","affiliation":[{"name":"Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Wenjuan","family":"Deng","sequence":"additional","affiliation":[{"name":"Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Zhiqiang","family":"Hu","sequence":"additional","affiliation":[{"name":"Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Jianlei","family":"Wang","sequence":"additional","affiliation":[{"name":"Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Yuanyuan","family":"Zhao","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Complex Non-Ferrous Metal Resource Clean Utilization, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Baichuan","family":"Zhou","sequence":"additional","affiliation":[{"name":"State Key Laboratory of Complex Non-Ferrous Metal Resource Clean Utilization, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]},{"given":"Guocai","family":"Tian","sequence":"additional","affiliation":[{"name":"Faculty of Metallurgical and Energy Engineering, Kunming University of Science and Technology, Kunming 650093, China"},{"name":"State Key Laboratory of Complex Non-Ferrous Metal Resource Clean Utilization, Kunming University of Science and Technology, Kunming 650093, China"}],"role":[{"vocabulary":"crossref","role":"author"}]}],"member":"292","published-online":{"date-parts":[[2025]]},"reference":[{"key":"D5CP01972A\/cit1\/1","doi-asserted-by":"crossref","first-page":"253","DOI":"10.1038\/s43017-024-00532-2","volume":"5","author":"Liu","year":"2024","journal-title":"Nat. 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