{"id":"https://openalex.org/W4389767415","doi":"https://doi.org/10.1007/s00894-023-05806-y","title":"Machine learning-based exploration of molecular design descriptors for area-selective atomic layer deposition (AS-ALD) precursors","display_name":"Machine learning-based exploration of molecular design descriptors for area-selective atomic layer deposition (AS-ALD) precursors","publication_year":2023,"publication_date":"2023-12-14","ids":{"openalex":"https://openalex.org/W4389767415","doi":"https://doi.org/10.1007/s00894-023-05806-y","pmid":"https://pubmed.ncbi.nlm.nih.gov/38093140"},"language":"en","primary_location":{"id":"doi:10.1007/s00894-023-05806-y","doi":"https://doi.org/10.1007/s00894-023-05806-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-023-05806-y","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","raw_type":"journal-article"},"volume":null,"type":"article","is_traditional":true,"indexed_in":["crossref","pubmed"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5080755797","display_name":"Tran Thi Ngoc Van","orcid":"https://orcid.org/0000-0003-4214-1103","observed_orcids":["https://orcid.org/0000-0003-4214-1103"]},"institutions":[{"id":"https://openalex.org/I94588446","display_name":"Hongik University","ror":"https://ror.org/00egdv862","country_code":"KR","type":"education","lineage":["https://openalex.org/I94588446"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Tran Thi Ngoc Van","raw_affiliation_strings":["Chemical Engineering, Hongik University, Seoul, 04066, South Korea"],"raw_orcid":"https://orcid.org/0000-0003-4214-1103","affiliations":[{"raw_affiliation_string":"Chemical Engineering, Hongik University, Seoul, 04066, South Korea","institution_ids":["https://openalex.org/I94588446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101913136","display_name":"Changsu Kim","orcid":"https://orcid.org/0000-0003-2515-341X","observed_orcids":["https://orcid.org/0000-0003-2515-341X"]},"institutions":[{"id":"https://openalex.org/I848706","display_name":"Sungkyunkwan University","ror":"https://ror.org/04q78tk20","country_code":"KR","type":"education","lineage":["https://openalex.org/I848706"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Changsu Kim","raw_affiliation_strings":["Chemical Engineering, Sungkyunkwan University, Suwon, 16419, South Korea"],"raw_orcid":"https://orcid.org/0000-0003-2515-341X","affiliations":[{"raw_affiliation_string":"Chemical Engineering, Sungkyunkwan University, Suwon, 16419, South Korea","institution_ids":["https://openalex.org/I848706"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100637306","display_name":"Hojae Lee","orcid":"https://orcid.org/0000-0001-9845-3320","observed_orcids":["https://orcid.org/0000-0001-9845-3320","https://orcid.org/0000-0001-7715-4305"]},"institutions":[{"id":"https://openalex.org/I94588446","display_name":"Hongik University","ror":"https://ror.org/00egdv862","country_code":"KR","type":"education","lineage":["https://openalex.org/I94588446"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Hojae Lee","raw_affiliation_strings":["Chemical Engineering, Hongik University, Seoul, 04066, South Korea"],"raw_orcid":"https://orcid.org/0000-0001-7715-4305","affiliations":[{"raw_affiliation_string":"Chemical Engineering, Hongik University, Seoul, 04066, South Korea","institution_ids":["https://openalex.org/I94588446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5032837167","display_name":"Jiyong Kim","orcid":"https://orcid.org/0000-0002-9999-736X","observed_orcids":["https://orcid.org/0000-0002-9999-736X","https://orcid.org/0000-0003-4981-1907"]},"institutions":[{"id":"https://openalex.org/I848706","display_name":"Sungkyunkwan University","ror":"https://ror.org/04q78tk20","country_code":"KR","type":"education","lineage":["https://openalex.org/I848706"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Jiyong Kim","raw_affiliation_strings":["Chemical Engineering, Sungkyunkwan University, Suwon, 16419, South Korea. jiyongkim@skku.edu","Chemical Engineering, Sungkyunkwan University, Suwon, 16419, South Korea"],"raw_orcid":"https://orcid.org/0000-0002-9999-736X","affiliations":[{"raw_affiliation_string":"Chemical Engineering, Sungkyunkwan University, Suwon, 16419, South Korea. jiyongkim@skku.edu","institution_ids":["https://openalex.org/I848706"]},{"raw_affiliation_string":"Chemical Engineering, Sungkyunkwan University, Suwon, 16419, South Korea","institution_ids":["https://openalex.org/I848706"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063662964","display_name":"Bonggeun Shong","orcid":"https://orcid.org/0000-0002-5782-6300","observed_orcids":["https://orcid.org/0000-0002-5782-6300"]},"institutions":[{"id":"https://openalex.org/I94588446","display_name":"Hongik University","ror":"https://ror.org/00egdv862","country_code":"KR","type":"education","lineage":["https://openalex.org/I94588446"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Bonggeun Shong","raw_affiliation_strings":["Chemical Engineering, Hongik University, Seoul, 04066, South Korea. bshong@hongik.ac.kr","Chemical Engineering, Hongik University, Seoul, 04066, South Korea"],"raw_orcid":"https://orcid.org/0000-0002-5782-6300","affiliations":[{"raw_affiliation_string":"Chemical Engineering, Hongik University, Seoul, 04066, South Korea. bshong@hongik.ac.kr","institution_ids":["https://openalex.org/I94588446"]},{"raw_affiliation_string":"Chemical Engineering, Hongik University, Seoul, 04066, South Korea","institution_ids":["https://openalex.org/I94588446"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5032837167","https://openalex.org/A5063662964"],"corresponding_institution_ids":["https://openalex.org/I848706","https://openalex.org/I94588446"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.8724,"has_fulltext":false,"cited_by_count":13,"citation_normalized_percentile":{"value":0.65501841,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":99},"biblio":{"volume":"30","issue":"1","first_page":"10","last_page":"10"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.8827999830245972,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.8827999830245972,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10472","display_name":"Semiconductor materials and devices","score":0.0997999981045723,"subfield":{"id":"https://openalex.org/subfields/2208","display_name":"Electrical and Electronic Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10002","display_name":"Advanced Chemical Physics Studies","score":0.008100000210106373,"subfield":{"id":"https://openalex.org/subfields/3107","display_name":"Atomic and Molecular Physics, and Optics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/area-selective-atomic-layer-deposition","display_name":"area-selective atomic layer deposition","score":1.0},{"id":"https://openalex.org/keywords/ald-precursors","display_name":"ALD precursors","score":0.8899999856948853},{"id":"https://openalex.org/keywords/molecular-design","display_name":"molecular design","score":0.6359999775886536},{"id":"https://openalex.org/keywords/selective-deposition","display_name":"selective deposition","score":0.8270000219345093},{"id":"https://openalex.org/keywords/metal-oxide-precursors","display_name":"metal oxide precursors","score":0.9549999833106995},{"id":"https://openalex.org/keywords/surface-reactivity","display_name":"surface reactivity","score":0.8190000057220459},{"id":"https://openalex.org/keywords/structure-reactivity-relationships","display_name":"structure-reactivity relationships","score":0.7770000100135803},{"id":"https://openalex.org/keywords/molecular-descriptors","display_name":"molecular descriptors","score":0.6320000290870667},{"id":"https://openalex.org/keywords/neural-network","display_name":"artificial neural networks","score":0.7540000081062317},{"id":"https://openalex.org/keywords/surface-termination","display_name":"surface termination","score":0.6899999976158142},{"id":"https://openalex.org/keywords/thin-film-deposition","display_name":"thin film deposition","score":0.8510000109672546}],"concepts":[{"id":"https://openalex.org/C69544855","wikidata":"https://www.wikidata.org/wiki/Q757625","display_name":"Atomic layer deposition","level":3,"score":0.9305019974708557},{"id":"https://openalex.org/C2776910235","wikidata":"https://www.wikidata.org/wiki/Q18574","display_name":"Reactivity (psychology)","level":3,"score":0.6177349090576172},{"id":"https://openalex.org/C118792377","wikidata":"https://www.wikidata.org/wiki/Q108584245","display_name":"Selectivity","level":3,"score":0.593986988067627},{"id":"https://openalex.org/C2777289219","wikidata":"https://www.wikidata.org/wiki/Q7632154","display_name":"Substrate (aquarium)","level":2,"score":0.5465081930160522},{"id":"https://openalex.org/C115537861","wikidata":"https://www.wikidata.org/wiki/Q7645993","display_name":"Surface modification","level":2,"score":0.5304369926452637},{"id":"https://openalex.org/C64297162","wikidata":"https://www.wikidata.org/wiki/Q1987070","display_name":"Deposition (geology)","level":3,"score":0.5046180486679077},{"id":"https://openalex.org/C152365726","wikidata":"https://www.wikidata.org/wiki/Q1048589","display_name":"Density functional theory","level":2,"score":0.5014708042144775},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.4663867950439453},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4447771906852722},{"id":"https://openalex.org/C2779851234","wikidata":"https://www.wikidata.org/wiki/Q50690","display_name":"Oxide","level":2,"score":0.4204854965209961},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.3881305456161499},{"id":"https://openalex.org/C2779227376","wikidata":"https://www.wikidata.org/wiki/Q6505497","display_name":"Layer (electronics)","level":2,"score":0.38033270835876465},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.20921635627746582},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.13357815146446228},{"id":"https://openalex.org/C161790260","wikidata":"https://www.wikidata.org/wiki/Q82264","display_name":"Catalysis","level":2,"score":0.13134610652923584},{"id":"https://openalex.org/C147789679","wikidata":"https://www.wikidata.org/wiki/Q11372","display_name":"Physical chemistry","level":1,"score":0.06967875361442566},{"id":"https://openalex.org/C204787440","wikidata":"https://www.wikidata.org/wiki/Q188504","display_name":"Alternative medicine","level":2,"score":0.0},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0},{"id":"https://openalex.org/C127313418","wikidata":"https://www.wikidata.org/wiki/Q1069","display_name":"Geology","level":0,"score":0.0},{"id":"https://openalex.org/C142724271","wikidata":"https://www.wikidata.org/wiki/Q7208","display_name":"Pathology","level":1,"score":0.0},{"id":"https://openalex.org/C2816523","wikidata":"https://www.wikidata.org/wiki/Q180184","display_name":"Sediment","level":2,"score":0.0},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.0},{"id":"https://openalex.org/C111368507","wikidata":"https://www.wikidata.org/wiki/Q43518","display_name":"Oceanography","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/s00894-023-05806-y","doi":"https://doi.org/10.1007/s00894-023-05806-y","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s00894-023-05806-y","pdf_url":null,"source":{"id":"https://openalex.org/S113170167","display_name":"Journal of Molecular Modeling","issn_l":"0948-5023","issn":["0948-5023","1610-2940"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["anvur-scientific","cwts-core","dongbi-d","jufo-1","medline","norway-1","poland-40","russia-white-list-2"],"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Molecular Modeling","raw_type":"journal-article"},{"id":"pmid:38093140","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38093140","pdf_url":null,"source":{"id":"https://openalex.org/S4306525036","display_name":"PubMed","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"listed_in":[],"host_organization":"https://openalex.org/I1299303238","host_organization_name":"National Institutes of Health","host_organization_lineage":["https://openalex.org/I1299303238"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of molecular modeling","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G2056480057","display_name":null,"funder_award_id":"RS-2023-00210186","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"},{"id":"https://openalex.org/G4014154334","display_name":null,"funder_award_id":"RS-2022-00143881","funder_id":"https://openalex.org/F4320322120","funder_display_name":"National Research Foundation of Korea"}],"funders":[{"id":"https://openalex.org/F4320322120","display_name":"National Research Foundation of Korea","ror":"https://ror.org/013aysd81"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W1971648352","https://openalex.org/W1988091937","https://openalex.org/W1996195892","https://openalex.org/W1996456507","https://openalex.org/W2023603575","https://openalex.org/W2042889777","https://openalex.org/W2087474038","https://openalex.org/W2095183381","https://openalex.org/W2150195378","https://openalex.org/W2158932701","https://openalex.org/W2295951360","https://openalex.org/W2410011626","https://openalex.org/W2507886515","https://openalex.org/W2609220193","https://openalex.org/W2739439285","https://openalex.org/W2746371905","https://openalex.org/W2768045810","https://openalex.org/W2884430236","https://openalex.org/W2886268036","https://openalex.org/W2904730684","https://openalex.org/W2912397543","https://openalex.org/W2917193084","https://openalex.org/W2999693178","https://openalex.org/W3006424184","https://openalex.org/W3006809768","https://openalex.org/W3025789691","https://openalex.org/W3091060241","https://openalex.org/W3119113445","https://openalex.org/W3120512966","https://openalex.org/W3133646241","https://openalex.org/W3165300194","https://openalex.org/W3167038013","https://openalex.org/W3179589106","https://openalex.org/W4283382035","https://openalex.org/W4308883209","https://openalex.org/W4311137537","https://openalex.org/W4311285305","https://openalex.org/W4323318750","https://openalex.org/W4377239029","https://openalex.org/W4379743048","https://openalex.org/W6902641708"],"related_works":["https://openalex.org/W4398204279","https://openalex.org/W2410011626","https://openalex.org/W3165783184","https://openalex.org/W2042889777","https://openalex.org/W2090882141","https://openalex.org/W7154480166","https://openalex.org/W4407781688","https://openalex.org/W4282913088","https://openalex.org/W3120512966","https://openalex.org/W4406504715"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":9},{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":1}],"updated_date":"2026-11-12T12:28:57.059296","created_date":"2023-12-15T00:00:00"}