{"id":"https://openalex.org/W2008666769","doi":"https://doi.org/10.1021/ci900275w","title":"RED: A Set of Molecular Descriptors Based on R\u00e9nyi Entropy","display_name":"RED: A Set of Molecular Descriptors Based on R\u00e9nyi Entropy","publication_year":2009,"publication_date":"2009-10-21","ids":{"openalex":"https://openalex.org/W2008666769","doi":"https://doi.org/10.1021/ci900275w","mag":"2008666769","pmid":"https://pubmed.ncbi.nlm.nih.gov/19842710"},"language":"en","primary_location":{"id":"doi:10.1021/ci900275w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci900275w","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/A5031997304","display_name":"Laura Delgado-Soler","orcid":null},"institutions":[{"id":"https://openalex.org/I4210095952","display_name":"Institute for Cross-Disciplinary Physics and Complex Systems","ror":"https://ror.org/00pfxsh56","country_code":"ES","type":"facility","lineage":["https://openalex.org/I134820265","https://openalex.org/I4210095952","https://openalex.org/I50441567"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":true,"raw_author_name":"Laura Delgado-Soler","raw_affiliation_strings":["Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain","institution_ids":["https://openalex.org/I4210095952","https://openalex.org/I71999127","https://openalex.org/I9617848"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5071042104","display_name":"Ra\u00fal Toral","orcid":"https://orcid.org/0000-0003-2046-7620"},"institutions":[{"id":"https://openalex.org/I4210095952","display_name":"Institute for Cross-Disciplinary Physics and Complex Systems","ror":"https://ror.org/00pfxsh56","country_code":"ES","type":"facility","lineage":["https://openalex.org/I134820265","https://openalex.org/I4210095952","https://openalex.org/I50441567"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Raul Toral","raw_affiliation_strings":["Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain","institution_ids":["https://openalex.org/I4210095952","https://openalex.org/I71999127","https://openalex.org/I9617848"]}]},{"author_position":"middle","author":{"id":null,"display_name":"M. Santos Tom\u00e1s","orcid":null},"institutions":[{"id":"https://openalex.org/I4210095952","display_name":"Institute for Cross-Disciplinary Physics and Complex Systems","ror":"https://ror.org/00pfxsh56","country_code":"ES","type":"facility","lineage":["https://openalex.org/I134820265","https://openalex.org/I4210095952","https://openalex.org/I50441567"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"M. Santos Tom\u00e1s","raw_affiliation_strings":["Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain","institution_ids":["https://openalex.org/I4210095952","https://openalex.org/I71999127","https://openalex.org/I9617848"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100748660","display_name":"J. Rubio","orcid":"https://orcid.org/0000-0002-5529-2325"},"institutions":[{"id":"https://openalex.org/I4210095952","display_name":"Institute for Cross-Disciplinary Physics and Complex Systems","ror":"https://ror.org/00pfxsh56","country_code":"ES","type":"facility","lineage":["https://openalex.org/I134820265","https://openalex.org/I4210095952","https://openalex.org/I50441567"]},{"id":"https://openalex.org/I71999127","display_name":"Universitat de Barcelona","ror":"https://ror.org/021018s57","country_code":"ES","type":"education","lineage":["https://openalex.org/I71999127"]},{"id":"https://openalex.org/I9617848","display_name":"Universitat Polit\u00e8cnica de Catalunya","ror":"https://ror.org/03mb6wj31","country_code":"ES","type":"education","lineage":["https://openalex.org/I9617848"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jaime Rubio-Martinez","raw_affiliation_strings":["Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain"],"affiliations":[{"raw_affiliation_string":"Departament de Qu\u00edmica F\u00edsica, Universitat de Barcelona (UB) and the Institut de Recerca en Qu\u00edmica Te\u00f2rica i Computacional (IQTCUB), Mart\u00ed i Franqu\u00e9s 1, E-08028 Barcelona, Spain, Instituto de F\u00edsica Interdisciplinar y Sistemas Complejos (IFISC), CSIC-UIB, Campus UIB, 07122-Palma de Mallorca, Spain, and Secci\u00f3 Matem\u00e0tiques ETSAB, Universitat Polit\u00e8cnica de Catalunya (UPC), ETS d\u2019Arquitectura, Avinguda Diagonal 649, E-08028 Barcelona, Spain","institution_ids":["https://openalex.org/I4210095952","https://openalex.org/I71999127","https://openalex.org/I9617848"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5031997304"],"corresponding_institution_ids":["https://openalex.org/I4210095952","https://openalex.org/I71999127","https://openalex.org/I9617848"],"apc_list":null,"apc_paid":null,"fwci":0.2696,"has_fulltext":false,"cited_by_count":11,"citation_normalized_percentile":{"value":0.58887527,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"49","issue":"11","first_page":"2457","last_page":"2468"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12946","display_name":"Fractal and DNA sequence analysis","score":0.9954000115394592,"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/T12946","display_name":"Fractal and DNA sequence analysis","score":0.9954000115394592,"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":0.9945999979972839,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.9926999807357788,"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/set","display_name":"Set (abstract data type)","score":0.41243308782577515},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.373957097530365},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.37108856439590454},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.3369784951210022}],"concepts":[{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.41243308782577515},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.373957097530365},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.37108856439590454},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.3369784951210022},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci900275w","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci900275w","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:19842710","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/19842710","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":[{"id":"https://openalex.org/F4320321505","display_name":"Generalitat de Catalunya","ror":"https://ror.org/01bg62x04"},{"id":"https://openalex.org/F4320323737","display_name":"Ministerio de Ciencia y Tecnolog\u00eda","ror":"https://ror.org/034900433"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":27,"referenced_works":["https://openalex.org/W417995331","https://openalex.org/W1485272992","https://openalex.org/W1624804034","https://openalex.org/W1960150933","https://openalex.org/W1969714023","https://openalex.org/W1981343642","https://openalex.org/W2016619479","https://openalex.org/W2021748110","https://openalex.org/W2029296498","https://openalex.org/W2031372687","https://openalex.org/W2032245355","https://openalex.org/W2040185492","https://openalex.org/W2042007894","https://openalex.org/W2043545545","https://openalex.org/W2063278729","https://openalex.org/W2077973224","https://openalex.org/W2086902850","https://openalex.org/W2088423689","https://openalex.org/W2092802075","https://openalex.org/W2104869668","https://openalex.org/W2125253492","https://openalex.org/W2140797417","https://openalex.org/W2161579136","https://openalex.org/W2173560031","https://openalex.org/W2177544602","https://openalex.org/W4230367971","https://openalex.org/W4255086355"],"related_works":["https://openalex.org/W2748952813","https://openalex.org/W2390279801","https://openalex.org/W2358668433","https://openalex.org/W2376932109","https://openalex.org/W2001405890","https://openalex.org/W2382290278","https://openalex.org/W2478288626","https://openalex.org/W4391913857","https://openalex.org/W2033914206","https://openalex.org/W2042327336"],"abstract_inverted_index":{"New":[0],"molecular":[1,21,30,63],"descriptors,":[2],"RED":[3,52],"(Renyi":[4],"entropy":[5,33,76],"descriptors),":[6],"based":[7,19],"on":[8,20],"the":[9,46,57,74,82],"generalized":[10],"entropies":[11],"introduced":[12],"by":[13],"Renyi":[14,32,75],"are":[15],"presented.":[16],"Topological":[17],"descriptors":[18,53],"features":[22],"have":[23],"proven":[24],"to":[25,40],"be":[26],"useful":[27],"for":[28,56,80],"describing":[29],"profiles.":[31],"is":[34],"used":[35],"as":[36],"a":[37,42],"variability":[38],"measure":[39],"contract":[41],"feature-pair":[43],"distribution":[44],"composing":[45],"descriptor":[47],"vector.":[48],"The":[49],"performance":[50],"of":[51,59,62,73],"was":[54],"tested":[55],"analysis":[58],"different":[60],"sets":[61],"distances,":[64],"virtual":[65],"screening,":[66],"and":[67],"pharmacological":[68],"profiling.":[69],"A":[70],"free":[71],"parameter":[72],"has":[77],"been":[78],"optimized":[79],"all":[81],"considered":[83],"applications.":[84]},"counts_by_year":[{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2019,"cited_by_count":2},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":3},{"year":2012,"cited_by_count":1}],"updated_date":"2026-04-16T08:26:57.006410","created_date":"2025-10-10T00:00:00"}
