{"id":"https://openalex.org/W3089465357","doi":"https://doi.org/10.1021/acs.jcim.0c00627","title":"Automatic Determination of the Sequential Order of Dynamic Data and Its Application to Vibrational Spectroscopy","display_name":"Automatic Determination of the Sequential Order of Dynamic Data and Its Application to Vibrational Spectroscopy","publication_year":2020,"publication_date":"2020-09-28","ids":{"openalex":"https://openalex.org/W3089465357","doi":"https://doi.org/10.1021/acs.jcim.0c00627","mag":"3089465357","pmid":"https://pubmed.ncbi.nlm.nih.gov/32986417"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.0c00627","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00627","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","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/A5068155664","display_name":"Daisuke Miyata","orcid":"https://orcid.org/0000-0002-6785-2342"},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Daisuke Miyata","raw_affiliation_strings":["Graduate School of Pharmaceutical Sciences, Tohoku University, Aoba-ku, Sendai 980-8578, Japan"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Graduate School of Pharmaceutical Sciences, Tohoku University, Aoba-ku, Sendai 980-8578, Japan","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083111863","display_name":"Takakazu Nakabayashi","orcid":"https://orcid.org/0000-0003-2942-2189"},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Takakazu Nakabayashi","raw_affiliation_strings":["Graduate School of Pharmaceutical Sciences, Tohoku University, Aoba-ku, Sendai 980-8578, Japan"],"raw_orcid":"https://orcid.org/0000-0003-2942-2189","affiliations":[{"raw_affiliation_string":"Graduate School of Pharmaceutical Sciences, Tohoku University, Aoba-ku, Sendai 980-8578, Japan","institution_ids":["https://openalex.org/I201537933"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5063362815","display_name":"Shin-ichi Morita","orcid":"https://orcid.org/0000-0002-7841-4719"},"institutions":[{"id":"https://openalex.org/I201537933","display_name":"Tohoku University","ror":"https://ror.org/01dq60k83","country_code":"JP","type":"education","lineage":["https://openalex.org/I201537933"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Shin-ichi Morita","raw_affiliation_strings":["Graduate School of Science, Tohoku University, Aoba-ku, Sendai 980-8578, Japan"],"raw_orcid":"https://orcid.org/0000-0002-7841-4719","affiliations":[{"raw_affiliation_string":"Graduate School of Science, Tohoku University, Aoba-ku, Sendai 980-8578, Japan","institution_ids":["https://openalex.org/I201537933"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5063362815"],"corresponding_institution_ids":["https://openalex.org/I201537933"],"apc_list":null,"apc_paid":null,"fwci":0.92,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.68340081,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":97},"biblio":{"volume":"60","issue":"10","first_page":"5070","last_page":"5079"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9997000098228455,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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/T11667","display_name":"Advanced Chemical Sensor Technologies","score":0.9975000023841858,"subfield":{"id":"https://openalex.org/subfields/2204","display_name":"Biomedical 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/T11324","display_name":"Spectroscopy Techniques in Biomedical and Chemical Research","score":0.9866999983787537,"subfield":{"id":"https://openalex.org/subfields/1304","display_name":"Biophysics"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/order","display_name":"Order (exchange)","score":0.6016929745674133},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5548160076141357},{"id":"https://openalex.org/keywords/vibration","display_name":"Vibration","score":0.5300200581550598},{"id":"https://openalex.org/keywords/spectroscopy","display_name":"Spectroscopy","score":0.5288416147232056},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.5218952298164368},{"id":"https://openalex.org/keywords/signal","display_name":"SIGNAL (programming language)","score":0.5131345391273499},{"id":"https://openalex.org/keywords/intensity","display_name":"Intensity (physics)","score":0.4281250834465027},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.34212538599967957},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3313121795654297},{"id":"https://openalex.org/keywords/acoustics","display_name":"Acoustics","score":0.21761798858642578},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.20929083228111267},{"id":"https://openalex.org/keywords/optics","display_name":"Optics","score":0.2046363651752472},{"id":"https://openalex.org/keywords/quantum-mechanics","display_name":"Quantum mechanics","score":0.07291650772094727}],"concepts":[{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.6016929745674133},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5548160076141357},{"id":"https://openalex.org/C198394728","wikidata":"https://www.wikidata.org/wiki/Q3695508","display_name":"Vibration","level":2,"score":0.5300200581550598},{"id":"https://openalex.org/C32891209","wikidata":"https://www.wikidata.org/wiki/Q483666","display_name":"Spectroscopy","level":2,"score":0.5288416147232056},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.5218952298164368},{"id":"https://openalex.org/C2779843651","wikidata":"https://www.wikidata.org/wiki/Q7390335","display_name":"SIGNAL (programming language)","level":2,"score":0.5131345391273499},{"id":"https://openalex.org/C93038891","wikidata":"https://www.wikidata.org/wiki/Q1061524","display_name":"Intensity (physics)","level":2,"score":0.4281250834465027},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.34212538599967957},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3313121795654297},{"id":"https://openalex.org/C24890656","wikidata":"https://www.wikidata.org/wiki/Q82811","display_name":"Acoustics","level":1,"score":0.21761798858642578},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.20929083228111267},{"id":"https://openalex.org/C120665830","wikidata":"https://www.wikidata.org/wiki/Q14620","display_name":"Optics","level":1,"score":0.2046363651752472},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.07291650772094727},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"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/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D013057","descriptor_name":"Spectrum Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013057","descriptor_name":"Spectrum Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013057","descriptor_name":"Spectrum Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D014732","descriptor_name":"Vibration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014732","descriptor_name":"Vibration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D014732","descriptor_name":"Vibration","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.0c00627","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.0c00627","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:32986417","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/32986417","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,"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 chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":41,"referenced_works":["https://openalex.org/W1480941524","https://openalex.org/W1794258761","https://openalex.org/W1902027874","https://openalex.org/W1968612652","https://openalex.org/W1975372451","https://openalex.org/W1976948088","https://openalex.org/W1985635711","https://openalex.org/W1986150909","https://openalex.org/W1986517937","https://openalex.org/W1992045220","https://openalex.org/W1992638828","https://openalex.org/W1998646550","https://openalex.org/W2006377871","https://openalex.org/W2007261538","https://openalex.org/W2008257760","https://openalex.org/W2015429878","https://openalex.org/W2018432136","https://openalex.org/W2021737200","https://openalex.org/W2027223354","https://openalex.org/W2032484068","https://openalex.org/W2043978343","https://openalex.org/W2048789095","https://openalex.org/W2053883254","https://openalex.org/W2056568776","https://openalex.org/W2059634416","https://openalex.org/W2060235373","https://openalex.org/W2062102053","https://openalex.org/W2066313481","https://openalex.org/W2077878539","https://openalex.org/W2079310698","https://openalex.org/W2080910018","https://openalex.org/W2107735396","https://openalex.org/W2120116130","https://openalex.org/W2123613399","https://openalex.org/W2129077048","https://openalex.org/W2277437066","https://openalex.org/W2490526535","https://openalex.org/W2761895419","https://openalex.org/W2882230934","https://openalex.org/W2916607377","https://openalex.org/W3096670354"],"related_works":["https://openalex.org/W2031481447","https://openalex.org/W2995569247","https://openalex.org/W2361261209","https://openalex.org/W4389241047","https://openalex.org/W2997776052","https://openalex.org/W2331107224","https://openalex.org/W2628527627","https://openalex.org/W2357911031","https://openalex.org/W2349741153","https://openalex.org/W2015238087"],"abstract_inverted_index":{"For":[0],"over":[1],"the":[2,20,32,39,42,65,71],"past":[3],"30":[4],"years,":[5],"generalized":[6],"two-dimensional":[7],"correlation":[8],"spectroscopy":[9],"has":[10,45],"formed":[11],"an":[12],"active":[13],"and":[14,75],"widespread":[15],"research":[16],"area.":[17],"One":[18],"of":[19,24,35,41,68,70,83],"most":[21],"attractive":[22],"properties":[23],"this":[25,56,78],"method":[26,61,79,87],"is":[27],"that":[28],"one":[29],"can":[30],"determine":[31,64],"sequential":[33,43,66],"order":[34,44,67],"signal":[36],"changes.":[37],"But":[38],"determination":[40],"only":[46],"been":[47],"done":[48],"manually":[49],"for":[50],"several":[51],"arbitrarily":[52],"chosen":[53],"bands.":[54],"In":[55],"paper,":[57],"we":[58,76],"develop":[59],"a":[60,90],"to":[62,80,92],"automatically":[63],"all":[69],"band":[72,81],"intensity":[73],"changes,":[74],"applied":[77],"changes":[82],"vibration":[84],"spectra.":[85],"This":[86],"will":[88],"open":[89],"door":[91],"analyze":[93],"more":[94],"complicated":[95],"signals":[96],"often":[97],"seen":[98],"in":[99],"life":[100],"phenomena.":[101]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":3},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":2}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}
