{"id":"https://openalex.org/W4309519232","doi":"https://doi.org/10.1007/s10822-022-00488-9","title":"Examining unsupervised ensemble learning using spectroscopy data of organic compounds","display_name":"Examining unsupervised ensemble learning using spectroscopy data of organic compounds","publication_year":2022,"publication_date":"2022-11-21","ids":{"openalex":"https://openalex.org/W4309519232","doi":"https://doi.org/10.1007/s10822-022-00488-9","pmid":"https://pubmed.ncbi.nlm.nih.gov/36404382"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-022-00488-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-022-00488-9","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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 Computer-Aided Molecular Design","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/A5081297353","display_name":"Kedan He","orcid":"https://orcid.org/0000-0002-1953-4956"},"institutions":[{"id":"https://openalex.org/I203331390","display_name":"Eastern Connecticut State University","ror":"https://ror.org/01mhgwt57","country_code":"US","type":"education","lineage":["https://openalex.org/I203331390","https://openalex.org/I4210132746"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Kedan He","raw_affiliation_strings":["Department of Physical Sciences, School of Arts and Sciences, Eastern Connecticut State University, Willimantic, CT, 06226, USA. hek@easternct.edu","Department of Physical Sciences, School of Arts and Sciences, Eastern Connecticut State University, Willimantic, CT, 06226, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physical Sciences, School of Arts and Sciences, Eastern Connecticut State University, Willimantic, CT, 06226, USA. hek@easternct.edu","institution_ids":["https://openalex.org/I203331390"]},{"raw_affiliation_string":"Department of Physical Sciences, School of Arts and Sciences, Eastern Connecticut State University, Willimantic, CT, 06226, USA","institution_ids":["https://openalex.org/I203331390"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5027915863","display_name":"Djenerly G. Massena","orcid":null},"institutions":[{"id":"https://openalex.org/I203331390","display_name":"Eastern Connecticut State University","ror":"https://ror.org/01mhgwt57","country_code":"US","type":"education","lineage":["https://openalex.org/I203331390","https://openalex.org/I4210132746"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Djenerly G. Massena","raw_affiliation_strings":["Department of Physical Sciences, School of Arts and Sciences, Eastern Connecticut State University, Willimantic, CT, 06226, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Physical Sciences, School of Arts and Sciences, Eastern Connecticut State University, Willimantic, CT, 06226, USA","institution_ids":["https://openalex.org/I203331390"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5081297353"],"corresponding_institution_ids":["https://openalex.org/I203331390"],"apc_list":{"value":3690,"currency":"USD","value_usd":3690},"apc_paid":null,"fwci":0.0716,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":{"value":0.31449569,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":95},"biblio":{"volume":"37","issue":"1","first_page":"17","last_page":"37"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11667","display_name":"Advanced Chemical Sensor Technologies","score":0.9947999715805054,"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"}},"topics":[{"id":"https://openalex.org/T11667","display_name":"Advanced Chemical Sensor Technologies","score":0.9947999715805054,"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/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9940999746322632,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.979200005531311,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/ensemble-learning","display_name":"Ensemble learning","score":0.8612635135650635},{"id":"https://openalex.org/keywords/cluster-analysis","display_name":"Cluster analysis","score":0.7492074370384216},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.580757737159729},{"id":"https://openalex.org/keywords/consensus-clustering","display_name":"Consensus clustering","score":0.5529478192329407},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5493655800819397},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5046118497848511},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.48704221844673157},{"id":"https://openalex.org/keywords/ensemble-forecasting","display_name":"Ensemble forecasting","score":0.4854917824268341},{"id":"https://openalex.org/keywords/categorization","display_name":"Categorization","score":0.4737825393676758},{"id":"https://openalex.org/keywords/partition","display_name":"Partition (number theory)","score":0.4732323884963989},{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.45806485414505005},{"id":"https://openalex.org/keywords/cluster","display_name":"Cluster (spacecraft)","score":0.4489912688732147},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.44893962144851685},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.43170166015625},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.29367050528526306},{"id":"https://openalex.org/keywords/fuzzy-clustering","display_name":"Fuzzy clustering","score":0.16985160112380981},{"id":"https://openalex.org/keywords/canopy-clustering-algorithm","display_name":"Canopy clustering algorithm","score":0.06764370203018188}],"concepts":[{"id":"https://openalex.org/C45942800","wikidata":"https://www.wikidata.org/wiki/Q245652","display_name":"Ensemble learning","level":2,"score":0.8612635135650635},{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.7492074370384216},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.580757737159729},{"id":"https://openalex.org/C186767784","wikidata":"https://www.wikidata.org/wiki/Q5162841","display_name":"Consensus clustering","level":5,"score":0.5529478192329407},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5493655800819397},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5046118497848511},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.48704221844673157},{"id":"https://openalex.org/C119898033","wikidata":"https://www.wikidata.org/wiki/Q3433888","display_name":"Ensemble forecasting","level":2,"score":0.4854917824268341},{"id":"https://openalex.org/C94124525","wikidata":"https://www.wikidata.org/wiki/Q912550","display_name":"Categorization","level":2,"score":0.4737825393676758},{"id":"https://openalex.org/C42812","wikidata":"https://www.wikidata.org/wiki/Q1082910","display_name":"Partition (number theory)","level":2,"score":0.4732323884963989},{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.45806485414505005},{"id":"https://openalex.org/C164866538","wikidata":"https://www.wikidata.org/wiki/Q367351","display_name":"Cluster (spacecraft)","level":2,"score":0.4489912688732147},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.44893962144851685},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.43170166015625},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.29367050528526306},{"id":"https://openalex.org/C17212007","wikidata":"https://www.wikidata.org/wiki/Q5511111","display_name":"Fuzzy clustering","level":3,"score":0.16985160112380981},{"id":"https://openalex.org/C104047586","wikidata":"https://www.wikidata.org/wiki/Q5033439","display_name":"Canopy clustering algorithm","level":4,"score":0.06764370203018188},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016000","descriptor_name":"Cluster Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1007/s10822-022-00488-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-022-00488-9","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"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 Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:36404382","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36404382","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 computer-aided molecular design","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Quality Education","score":0.5799999833106995,"id":"https://metadata.un.org/sdg/4"}],"awards":[{"id":"https://openalex.org/G8281451289","display_name":"MRI: Expansion of the Molecular Education and Research Consortium in Undergraduate Computational ChemistRY (MERCURY) via Addition of High Performance Computers","funder_award_id":"2018427","funder_id":"https://openalex.org/F4320306076","funder_display_name":"National Science Foundation"}],"funders":[{"id":"https://openalex.org/F4320306076","display_name":"National Science Foundation","ror":"https://ror.org/021nxhr62"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":69,"referenced_works":["https://openalex.org/W100104462","https://openalex.org/W188875627","https://openalex.org/W1505362105","https://openalex.org/W1516498690","https://openalex.org/W1573605934","https://openalex.org/W1594519403","https://openalex.org/W1608127741","https://openalex.org/W1967761844","https://openalex.org/W1973353528","https://openalex.org/W1987086873","https://openalex.org/W1987971958","https://openalex.org/W1991493796","https://openalex.org/W1992419399","https://openalex.org/W1993046026","https://openalex.org/W1993807384","https://openalex.org/W1996276996","https://openalex.org/W2018416842","https://openalex.org/W2026831847","https://openalex.org/W2035379061","https://openalex.org/W2037183202","https://openalex.org/W2042544684","https://openalex.org/W2043028407","https://openalex.org/W2044386109","https://openalex.org/W2051224630","https://openalex.org/W2060220440","https://openalex.org/W2062384153","https://openalex.org/W2069473864","https://openalex.org/W2080624168","https://openalex.org/W2091324760","https://openalex.org/W2107208924","https://openalex.org/W2108343180","https://openalex.org/W2111171370","https://openalex.org/W2111596024","https://openalex.org/W2114979880","https://openalex.org/W2130851950","https://openalex.org/W2131046249","https://openalex.org/W2132549764","https://openalex.org/W2132914434","https://openalex.org/W2139280638","https://openalex.org/W2141585940","https://openalex.org/W2154532634","https://openalex.org/W2158275940","https://openalex.org/W2160437295","https://openalex.org/W2169546341","https://openalex.org/W2237007263","https://openalex.org/W2277214347","https://openalex.org/W2295256067","https://openalex.org/W2517968414","https://openalex.org/W2528704971","https://openalex.org/W2530206022","https://openalex.org/W2559479590","https://openalex.org/W2791146007","https://openalex.org/W2799148064","https://openalex.org/W2804498673","https://openalex.org/W2884430236","https://openalex.org/W2900690725","https://openalex.org/W2905804072","https://openalex.org/W2911942613","https://openalex.org/W2974711963","https://openalex.org/W2980039588","https://openalex.org/W3010902216","https://openalex.org/W3015903332","https://openalex.org/W3036904322","https://openalex.org/W3081416485","https://openalex.org/W3083270358","https://openalex.org/W3159156584","https://openalex.org/W3183630498","https://openalex.org/W3213967242","https://openalex.org/W4242199660"],"related_works":["https://openalex.org/W2794896638","https://openalex.org/W1807784185","https://openalex.org/W4390905871","https://openalex.org/W3202800081","https://openalex.org/W1909207154","https://openalex.org/W3124390867","https://openalex.org/W3101614107","https://openalex.org/W3204228978","https://openalex.org/W1514365828","https://openalex.org/W4390971112"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-08-06T08:24:18.245995","created_date":"2025-10-10T00:00:00"}
