{"id":"https://openalex.org/W4220835489","doi":"https://doi.org/10.1007/s10822-022-00444-7","title":"Extended continuous similarity indices: theory and application for QSAR descriptor selection","display_name":"Extended continuous similarity indices: theory and application for QSAR descriptor selection","publication_year":2022,"publication_date":"2022-03-01","ids":{"openalex":"https://openalex.org/W4220835489","doi":"https://doi.org/10.1007/s10822-022-00444-7","pmid":"https://pubmed.ncbi.nlm.nih.gov/35288838"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-022-00444-7","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-022-00444-7","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/A5036366502","display_name":"Anita R\u00e1cz","orcid":"https://orcid.org/0000-0001-8271-9841"},"institutions":[{"id":"https://openalex.org/I80251312","display_name":"HUN-REN Research Centre for Natural Sciences","ror":"https://ror.org/03zwxja46","country_code":"HU","type":"facility","lineage":["https://openalex.org/I4387152226","https://openalex.org/I80251312"]}],"countries":["HU"],"is_corresponding":true,"raw_author_name":"Anita R\u00e1cz","raw_affiliation_strings":["Plasma Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Plasma Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary","institution_ids":["https://openalex.org/I80251312"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014034028","display_name":"Timothy B. Dunn","orcid":"https://orcid.org/0000-0003-3794-4729"},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Timothy B. Dunn","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026174702","display_name":"D\u00e1vid Bajusz","orcid":"https://orcid.org/0000-0003-4277-9481"},"institutions":[{"id":"https://openalex.org/I80251312","display_name":"HUN-REN Research Centre for Natural Sciences","ror":"https://ror.org/03zwxja46","country_code":"HU","type":"facility","lineage":["https://openalex.org/I4387152226","https://openalex.org/I80251312"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"D\u00e1vid Bajusz","raw_affiliation_strings":["Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Medicinal Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary","institution_ids":["https://openalex.org/I80251312"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054215479","display_name":"Taewon D. Kim","orcid":null},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Taewon D. Kim","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039322037","display_name":"Ram\u00f3n Alain Miranda\u2010Quintana","orcid":"https://orcid.org/0000-0003-2121-4449"},"institutions":[{"id":"https://openalex.org/I33213144","display_name":"University of Florida","ror":"https://ror.org/02y3ad647","country_code":"US","type":"education","lineage":["https://openalex.org/I33213144"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Ram\u00f3n Alain Miranda-Quintana","raw_affiliation_strings":["Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA. quintana@chem.ufl.edu","Quantum Theory Project, University of Florida, Gainesville, FL, 32611, USA. quintana@chem.ufl.edu","Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA. quintana@chem.ufl.edu","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Quantum Theory Project, University of Florida, Gainesville, FL, 32611, USA. quintana@chem.ufl.edu","institution_ids":["https://openalex.org/I33213144"]},{"raw_affiliation_string":"Department of Chemistry, University of Florida, Gainesville, FL, 32611, USA","institution_ids":["https://openalex.org/I33213144"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5043829139","display_name":"K\u00e1roly H\u00e9berger","orcid":"https://orcid.org/0000-0003-0965-939X"},"institutions":[{"id":"https://openalex.org/I80251312","display_name":"HUN-REN Research Centre for Natural Sciences","ror":"https://ror.org/03zwxja46","country_code":"HU","type":"facility","lineage":["https://openalex.org/I4387152226","https://openalex.org/I80251312"]}],"countries":["HU"],"is_corresponding":false,"raw_author_name":"K\u00e1roly H\u00e9berger","raw_affiliation_strings":["Plasma Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary. heberger.karoly@ttk.hu","Plasma Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary"],"affiliations":[{"raw_affiliation_string":"Plasma Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary. heberger.karoly@ttk.hu","institution_ids":["https://openalex.org/I80251312"]},{"raw_affiliation_string":"Plasma Chemistry Research Group, Research Centre for Natural Sciences, Magyar Tud\u00f3sok Krt. 2, 1117, Budapest, Hungary","institution_ids":["https://openalex.org/I80251312"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5036366502"],"corresponding_institution_ids":["https://openalex.org/I80251312"],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":2.6038,"has_fulltext":false,"cited_by_count":30,"citation_normalized_percentile":{"value":0.90624859,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":99},"biblio":{"volume":"36","issue":"3","first_page":"157","last_page":"173"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"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"}},"topics":[{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9976000189781189,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"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"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9973999857902527,"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"}},{"id":"https://openalex.org/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9922999739646912,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"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/pairwise-comparison","display_name":"Pairwise comparison","score":0.5631299614906311},{"id":"https://openalex.org/keywords/binary-number","display_name":"Binary number","score":0.5177947282791138},{"id":"https://openalex.org/keywords/categorical-variable","display_name":"Categorical variable","score":0.49573764204978943},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.469497948884964},{"id":"https://openalex.org/keywords/cluster-analysis","display_name":"Cluster analysis","score":0.45617222785949707},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.4511116147041321},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.4326813220977783},{"id":"https://openalex.org/keywords/generalization","display_name":"Generalization","score":0.4219195246696472},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.36184120178222656},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3467004895210266},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.3222772479057312},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.31133055686950684},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.19362637400627136}],"concepts":[{"id":"https://openalex.org/C184898388","wikidata":"https://www.wikidata.org/wiki/Q1435712","display_name":"Pairwise comparison","level":2,"score":0.5631299614906311},{"id":"https://openalex.org/C48372109","wikidata":"https://www.wikidata.org/wiki/Q3913","display_name":"Binary number","level":2,"score":0.5177947282791138},{"id":"https://openalex.org/C5274069","wikidata":"https://www.wikidata.org/wiki/Q2285707","display_name":"Categorical variable","level":2,"score":0.49573764204978943},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.469497948884964},{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.45617222785949707},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.4511116147041321},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.4326813220977783},{"id":"https://openalex.org/C177148314","wikidata":"https://www.wikidata.org/wiki/Q170084","display_name":"Generalization","level":2,"score":0.4219195246696472},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.36184120178222656},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3467004895210266},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.3222772479057312},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.31133055686950684},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.19362637400627136},{"id":"https://openalex.org/C94375191","wikidata":"https://www.wikidata.org/wiki/Q11205","display_name":"Arithmetic","level":1,"score":0.0},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0}],"mesh":[{"descriptor_ui":"D010802","descriptor_name":"Phylogeny","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010802","descriptor_name":"Phylogeny","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010802","descriptor_name":"Phylogeny","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1007/s10822-022-00444-7","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-022-00444-7","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:35288838","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35288838","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},{"id":"pmh:oai:real.mtak.hu:148583","is_oa":false,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4306400081","display_name":"Repository of the Academy's Library (Library of the Hungarian Academy of Sciences)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210140733","host_organization_name":"Library and Information Centre of the Hungarian Academy of Sciences","host_organization_lineage":["https://openalex.org/I4210140733"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"Article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320310009","display_name":"University of Florida","ror":"https://ror.org/02y3ad647"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":45,"referenced_works":["https://openalex.org/W1578560356","https://openalex.org/W1780930288","https://openalex.org/W1965528589","https://openalex.org/W1970369518","https://openalex.org/W1990451437","https://openalex.org/W2017784810","https://openalex.org/W2021455197","https://openalex.org/W2033757486","https://openalex.org/W2034272589","https://openalex.org/W2037226761","https://openalex.org/W2042007894","https://openalex.org/W2043767998","https://openalex.org/W2056881083","https://openalex.org/W2064576005","https://openalex.org/W2081320283","https://openalex.org/W2091515885","https://openalex.org/W2096541451","https://openalex.org/W2123179625","https://openalex.org/W2139731838","https://openalex.org/W2151697120","https://openalex.org/W2320034101","https://openalex.org/W2600261207","https://openalex.org/W2733722625","https://openalex.org/W2792720515","https://openalex.org/W2793915545","https://openalex.org/W2806470428","https://openalex.org/W2895061638","https://openalex.org/W2903889880","https://openalex.org/W2911321114","https://openalex.org/W2932873667","https://openalex.org/W3090508592","https://openalex.org/W3098196499","https://openalex.org/W3122377271","https://openalex.org/W3151614667","https://openalex.org/W3153640839","https://openalex.org/W3154487399","https://openalex.org/W3156755596","https://openalex.org/W3171391877","https://openalex.org/W3171798071","https://openalex.org/W3188229852","https://openalex.org/W3201281623","https://openalex.org/W3209805961","https://openalex.org/W3215276240","https://openalex.org/W4210483668","https://openalex.org/W4243388171"],"related_works":["https://openalex.org/W2487162673","https://openalex.org/W2793211469","https://openalex.org/W2949152769","https://openalex.org/W4372354731","https://openalex.org/W2942366970","https://openalex.org/W2807634898","https://openalex.org/W1692008701","https://openalex.org/W4386799044","https://openalex.org/W2597588799","https://openalex.org/W2766091780"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":14},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":4}],"updated_date":"2026-04-04T16:13:02.066488","created_date":"2025-10-10T00:00:00"}
