{"id":"https://openalex.org/W2883045336","doi":"https://doi.org/10.1039/c8nr03332c","title":"Multiscale prediction of functional self-assembled materials using machine learning: high-performance surfactant molecules","display_name":"Multiscale prediction of functional self-assembled materials using machine learning: high-performance surfactant molecules","publication_year":2018,"publication_date":"2018-01-01","ids":{"openalex":"https://openalex.org/W2883045336","doi":"https://doi.org/10.1039/c8nr03332c","mag":"2883045336","pmid":"https://pubmed.ncbi.nlm.nih.gov/30105348"},"language":"en","primary_location":{"id":"doi:10.1039/c8nr03332c","doi":"https://doi.org/10.1039/c8nr03332c","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c8nr03332c","pdf_url":null,"source":{"id":"https://openalex.org/S23181512","display_name":"Nanoscale","issn_l":"2040-3364","issn":["2040-3364","2040-3372"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-3","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nanoscale","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/A5025954492","display_name":"Takuya Inokuchi","orcid":"https://orcid.org/0000-0003-1872-6734","observed_orcids":["https://orcid.org/0000-0003-1872-6734"]},"institutions":[{"id":"https://openalex.org/I916559398","display_name":"Kindai University","ror":"https://ror.org/05kt9ap64","country_code":"JP","type":"education","lineage":["https://openalex.org/I916559398"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takuya Inokuchi","raw_affiliation_strings":["Department of Mechanical Engineering","Higashiosaka","Japan","Kindai University","Department of Mechanical Engineering, Kindai University, 3-4-1 Kowakae, Higashiosaka, Osaka, Japan"],"raw_orcid":"https://orcid.org/0000-0003-1872-6734","affiliations":[{"raw_affiliation_string":"Department of Mechanical Engineering","institution_ids":[]},{"raw_affiliation_string":"Higashiosaka","institution_ids":[]},{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Kindai University","institution_ids":["https://openalex.org/I916559398"]},{"raw_affiliation_string":"Department of Mechanical Engineering, Kindai University, 3-4-1 Kowakae, Higashiosaka, Osaka, Japan","institution_ids":["https://openalex.org/I916559398"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100368058","display_name":"Na Li","orcid":"https://orcid.org/0000-0002-0392-6672","observed_orcids":["https://orcid.org/0000-0002-0392-6672"]},"institutions":[{"id":"https://openalex.org/I4210137853","display_name":"Toyota Motor Corporation (Japan)","ror":"https://ror.org/02zqm6r10","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210125472","https://openalex.org/I4210137853"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Na Li","raw_affiliation_strings":["Japan","Toyota","Toyota Motor Corporation","Toyota Motor Corporation, Toyota-cho, Toyota, Aichi, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Toyota","institution_ids":["https://openalex.org/I4210137853"]},{"raw_affiliation_string":"Toyota Motor Corporation","institution_ids":["https://openalex.org/I4210137853"]},{"raw_affiliation_string":"Toyota Motor Corporation, Toyota-cho, Toyota, Aichi, Japan","institution_ids":["https://openalex.org/I4210137853"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Kei Morohoshi","orcid":null,"observed_orcids":[]},"institutions":[{"id":"https://openalex.org/I4210137853","display_name":"Toyota Motor Corporation (Japan)","ror":"https://ror.org/02zqm6r10","country_code":"JP","type":"company","lineage":["https://openalex.org/I4210125472","https://openalex.org/I4210137853"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Kei Morohoshi","raw_affiliation_strings":["Japan","Toyota","Toyota Motor Corporation","Toyota Motor Corporation, Toyota-cho, Toyota, Aichi, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Toyota","institution_ids":["https://openalex.org/I4210137853"]},{"raw_affiliation_string":"Toyota Motor Corporation","institution_ids":["https://openalex.org/I4210137853"]},{"raw_affiliation_string":"Toyota Motor Corporation, Toyota-cho, Toyota, Aichi, Japan","institution_ids":["https://openalex.org/I4210137853"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024693669","display_name":"Noriyoshi Arai","orcid":"https://orcid.org/0000-0002-5254-7329","observed_orcids":["https://orcid.org/0000-0002-5254-7329"]},"institutions":[{"id":"https://openalex.org/I4405286872","display_name":"Science and Technology Research Institute, Kindai University","ror":"https://ror.org/03cca6x11","country_code":"JP","type":"facility","lineage":["https://openalex.org/I4405286872","https://openalex.org/I916559398"]},{"id":"https://openalex.org/I916559398","display_name":"Kindai University","ror":"https://ror.org/05kt9ap64","country_code":"JP","type":"education","lineage":["https://openalex.org/I916559398"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Noriyoshi Arai","raw_affiliation_strings":["Department of Mechanical Engineering","Higashiosaka","Japan","Kindai University","Research Institute for Science and Technology","Department of Mechanical Engineering, Kindai University, 3-4-1 Kowakae, Higashiosaka, Osaka, Japan","Research Institute for Science and Technology, Kindai University, 3-4-1 Kowakae, Higashiosaka, Osaka, Japan"],"raw_orcid":"https://orcid.org/0000-0002-5254-7329","affiliations":[{"raw_affiliation_string":"Department of Mechanical Engineering","institution_ids":[]},{"raw_affiliation_string":"Higashiosaka","institution_ids":[]},{"raw_affiliation_string":"Japan","institution_ids":[]},{"raw_affiliation_string":"Kindai University","institution_ids":["https://openalex.org/I916559398"]},{"raw_affiliation_string":"Research Institute for Science and Technology","institution_ids":[]},{"raw_affiliation_string":"Department of Mechanical Engineering, Kindai University, 3-4-1 Kowakae, Higashiosaka, Osaka, Japan","institution_ids":["https://openalex.org/I916559398"]},{"raw_affiliation_string":"Research Institute for Science and Technology, Kindai University, 3-4-1 Kowakae, Higashiosaka, Osaka, Japan","institution_ids":["https://openalex.org/I4405286872","https://openalex.org/I916559398"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5024693669"],"corresponding_institution_ids":["https://openalex.org/I4405286872","https://openalex.org/I916559398"],"apc_list":null,"apc_paid":null,"fwci":1.0488,"has_fulltext":false,"cited_by_count":34,"citation_normalized_percentile":{"value":0.71860692,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":88,"max":98},"biblio":{"volume":"10","issue":"34","first_page":"16013","last_page":"16021"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.9994999766349792,"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":0.9994999766349792,"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/T10721","display_name":"Surfactants and Colloidal Systems","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":9.999999747378752e-05,"subfield":{"id":"https://openalex.org/subfields/3002","display_name":"Drug Discovery"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/self-assembled-materials","display_name":"self-assembled materials","score":0.7689999938011169},{"id":"https://openalex.org/keywords/surfactants","display_name":"surfactants","score":0.9129999876022339},{"id":"https://openalex.org/keywords/molecular-design","display_name":"molecular design","score":0.5339999794960022},{"id":"https://openalex.org/keywords/dispersion","display_name":"dispersion","score":0.5080000162124634},{"id":"https://openalex.org/keywords/viscosity","display_name":"viscosity","score":0.9869999885559082},{"id":"https://openalex.org/keywords/micelles","display_name":"micelles","score":0.5450000166893005},{"id":"https://openalex.org/keywords/machine-learning","display_name":"machine learning","score":0.6029999852180481},{"id":"https://openalex.org/keywords/structure-property-relationships","display_name":"structure-property relationships","score":0.7509999871253967},{"id":"https://openalex.org/keywords/solution-properties","display_name":"solution properties","score":0.5220000147819519}],"concepts":[{"id":"https://openalex.org/C58226133","wikidata":"https://www.wikidata.org/wiki/Q1324199","display_name":"Pulmonary surfactant","level":2,"score":0.7530772686004639},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.6199362874031067},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4675634801387787},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.43618714809417725},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3401411175727844},{"id":"https://openalex.org/C42360764","wikidata":"https://www.wikidata.org/wiki/Q83588","display_name":"Chemical engineering","level":1,"score":0.2546885311603546},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1949160099029541},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09067901968955994},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.08866578340530396}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1039/c8nr03332c","doi":"https://doi.org/10.1039/c8nr03332c","is_oa":false,"landing_page_url":"https://doi.org/10.1039/c8nr03332c","pdf_url":null,"source":{"id":"https://openalex.org/S23181512","display_name":"Nanoscale","issn_l":"2040-3364","issn":["2040-3364","2040-3372"],"is_oa":false,"is_in_doaj":false,"is_core":true,"listed_in":["cwts-core","dongbi-c","jufo-3","ki-jl-2","medline","norway-2","poland-140","russia-white-list-1","vabb-shw"],"host_organization":"https://openalex.org/P4310320556","host_organization_name":"Royal Society of Chemistry","host_organization_lineage":["https://openalex.org/P4310320556"],"host_organization_lineage_names":["Royal Society of Chemistry"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Nanoscale","raw_type":"journal-article"},{"id":"pmid:30105348","doi":null,"is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/30105348","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":"Nanoscale","raw_type":"Journal Article"}],"best_oa_location":null,"sustainable_development_goals":[],"study_designs":[],"awards":[{"id":"https://openalex.org/G7803143763","display_name":"Molecular Mechanism of Tom's Effect by Self-Assembly of Surfactant Molecules","funder_award_id":"17K14610","funder_id":"https://openalex.org/F4320334764","funder_display_name":"Japan Society for the Promotion of Science"}],"funders":[{"id":"https://openalex.org/F4320334764","display_name":"Japan Society for the Promotion of Science","ror":"https://ror.org/00hhkn466"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":51,"referenced_works":["https://openalex.org/W1504463291","https://openalex.org/W1678620623","https://openalex.org/W1750490368","https://openalex.org/W1901616594","https://openalex.org/W1963722000","https://openalex.org/W1966500709","https://openalex.org/W1967593237","https://openalex.org/W1970623137","https://openalex.org/W1971905180","https://openalex.org/W1973120939","https://openalex.org/W1977994085","https://openalex.org/W1987773615","https://openalex.org/W1987998019","https://openalex.org/W2006271210","https://openalex.org/W2006389318","https://openalex.org/W2019514109","https://openalex.org/W2030891958","https://openalex.org/W2032655419","https://openalex.org/W2032943090","https://openalex.org/W2039223335","https://openalex.org/W2049801133","https://openalex.org/W2059633930","https://openalex.org/W2062211878","https://openalex.org/W2062665607","https://openalex.org/W2078356153","https://openalex.org/W2087431884","https://openalex.org/W2093310284","https://openalex.org/W2093806300","https://openalex.org/W2095452245","https://openalex.org/W2103915069","https://openalex.org/W2104306407","https://openalex.org/W2146462263","https://openalex.org/W2184359099","https://openalex.org/W2235899933","https://openalex.org/W2256322079","https://openalex.org/W2320010345","https://openalex.org/W2323274258","https://openalex.org/W2347129741","https://openalex.org/W2363249082","https://openalex.org/W2473385051","https://openalex.org/W2503126452","https://openalex.org/W2519742913","https://openalex.org/W2520022941","https://openalex.org/W2527189750","https://openalex.org/W2560003481","https://openalex.org/W2611423883","https://openalex.org/W2617150064","https://openalex.org/W2766390436","https://openalex.org/W2773785180","https://openalex.org/W2774558352","https://openalex.org/W4229832378"],"related_works":["https://openalex.org/W2945217697","https://openalex.org/W4406564943","https://openalex.org/W4287703851","https://openalex.org/W4411986329","https://openalex.org/W2942153559","https://openalex.org/W4387831021","https://openalex.org/W4391446041","https://openalex.org/W2970841688","https://openalex.org/W4295847228","https://openalex.org/W3214300643"],"abstract_inverted_index":{"Various":[0],"physical":[1,126,150,178],"properties":[2,127,151,179],"of":[3,23,53,128,138,180,184,192,195],"functional":[4,105],"materials":[5,26,54,199],"can":[6,96,115,152,163],"be":[7,46,97,116,153,164],"induced":[8],"by":[9],"controlling":[10],"their":[11],"chemical":[12,135],"molecular":[13,16,39,83,136,157,202],"structures.":[14,87],"Therefore,":[15],"design":[17],"is":[18],"crucial":[19],"in":[20,32,189],"the":[21,50,124,134,156,193],"fields":[22],"engineering":[24],"and":[25,60,76,85,121,177,201],"science.":[27],"With":[28],"its":[29],"remarkable":[30],"development":[31,191],"various":[33],"fields,":[34],"machine":[35,80,100,113,161,196],"learning":[36,101,114,162,197],"combined":[37],"with":[38],"simulation":[40],"has":[41],"recently":[42],"been":[43],"found":[44],"to":[45,118,166,198],"effective":[47],"at":[48],"predicting":[49],"electronic":[51,86],"structure":[52],"(Nat.":[55],"Commun.,":[56,62],"2017,":[57,63],"8,":[58,64],"872":[59],"Nat.":[61],"13890).":[65],"However,":[66],"previous":[67],"studies":[68],"have":[69],"used":[70,117,165],"similar":[71],"microscale":[72],"information":[73,147],"as":[74,123,171],"input":[75],"output":[77],"data":[78,95],"for":[79],"learning,":[81],"i.e.,":[82],"structures":[84,137],"In":[88,108],"this":[89,185],"study,":[90],"we":[91,110],"determined":[92],"whether":[93,112],"multiscale":[94,168],"predicted":[98,154],"using":[99],"via":[102],"a":[103,129,139],"self-assembly":[104],"material":[106],"system.":[107],"particular,":[109],"investigated":[111],"predict":[119,167],"dispersion":[120],"viscosity,":[122],"representative":[125],"self-assembled":[130,174],"surfactant":[131,172],"solution,":[132],"from":[133,155],"surfactant.":[140],"The":[141,182],"results":[142,183],"showed":[143],"that":[144,160],"relatively":[145],"accurate":[146],"on":[148],"these":[149],"structure,":[158],"suggesting":[159],"systems,":[169],"such":[170],"molecules,":[173],"micelle":[175],"structures,":[176],"solutions.":[181],"study":[186],"will":[187],"aid":[188],"further":[190],"application":[194],"science":[200],"design.":[203]},"counts_by_year":[{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":4},{"year":2023,"cited_by_count":5},{"year":2022,"cited_by_count":7},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":5},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":1}],"updated_date":"2026-10-24T09:50:30.924529","created_date":"2018-08-03T00:00:00"}
