{"id":"https://openalex.org/W1957147548","doi":"https://doi.org/10.1186/s13321-015-0094-2","title":"RRegrs: an R package for computer-aided model selection with multiple regression models","display_name":"RRegrs: an R package for computer-aided model selection with multiple regression models","publication_year":2015,"publication_date":"2015-09-15","ids":{"openalex":"https://openalex.org/W1957147548","doi":"https://doi.org/10.1186/s13321-015-0094-2","mag":"1957147548","pmid":"https://pubmed.ncbi.nlm.nih.gov/26379782"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-015-0094-2","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0094-2","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0094-2","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0094-2","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5082102542","display_name":"Georgia Tsiliki","orcid":"https://orcid.org/0000-0001-7209-3670"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":true,"raw_author_name":"Georgia Tsiliki","raw_affiliation_strings":["School of Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechneiou Street, Zografou Campus, 15780 Athens, Greece","School of Chemical Engineering, National Technical University of Athens Athens, Greece"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechneiou Street, Zografou Campus, 15780 Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":"School of Chemical Engineering, National Technical University of Athens Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058919066","display_name":"Cristian R. Munteanu","orcid":"https://orcid.org/0000-0002-5628-2268"},"institutions":[{"id":"https://openalex.org/I11019714","display_name":"Universidade da Coru\u00f1a","ror":"https://ror.org/01qckj285","country_code":"ES","type":"education","lineage":["https://openalex.org/I11019714"]},{"id":"https://openalex.org/I34352273","display_name":"Maastricht University","ror":"https://ror.org/02jz4aj89","country_code":"NL","type":"education","lineage":["https://openalex.org/I34352273"]}],"countries":["ES","NL"],"is_corresponding":false,"raw_author_name":"Cristian R. Munteanu","raw_affiliation_strings":["Computer Science Faculty, University of A Coruna, Campus Elvi\u00f1a, s/n, 15071 A Coru\u00f1a, Spain","Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, P.O. Box 616, UNS50 Box 19, 6200 MD Maastricht, The Netherlands","Computer Science Faculty, University of A Coruna, A Coru\u00f1a, Spain","Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, Maastricht, The Netherlands"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Science Faculty, University of A Coruna, Campus Elvi\u00f1a, s/n, 15071 A Coru\u00f1a, Spain","institution_ids":["https://openalex.org/I11019714"]},{"raw_affiliation_string":"Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, P.O. Box 616, UNS50 Box 19, 6200 MD Maastricht, The Netherlands","institution_ids":["https://openalex.org/I34352273"]},{"raw_affiliation_string":"Computer Science Faculty, University of A Coruna, A Coru\u00f1a, Spain","institution_ids":["https://openalex.org/I11019714"]},{"raw_affiliation_string":"Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, Maastricht, The Netherlands","institution_ids":["https://openalex.org/I34352273"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015453378","display_name":"Jos\u00e9 A. Seoane","orcid":"https://orcid.org/0000-0002-3856-9177"},"institutions":[{"id":"https://openalex.org/I1743320","display_name":"Palo Alto University","ror":"https://ror.org/04f812k67","country_code":"US","type":"education","lineage":["https://openalex.org/I1743320"]},{"id":"https://openalex.org/I97018004","display_name":"Stanford University","ror":"https://ror.org/00f54p054","country_code":"US","type":"education","lineage":["https://openalex.org/I97018004"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Jose A. Seoane","raw_affiliation_strings":["Stanford Cancer Institute, Stanford University, C.J.Huang Building, 780 Welch Road, Palo Alto, CA 94304 USA","Stanford Cancer Institute, Stanford University, Palo Alto, USA"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Stanford Cancer Institute, Stanford University, C.J.Huang Building, 780 Welch Road, Palo Alto, CA 94304 USA","institution_ids":["https://openalex.org/I97018004"]},{"raw_affiliation_string":"Stanford Cancer Institute, Stanford University, Palo Alto, USA","institution_ids":["https://openalex.org/I1743320","https://openalex.org/I97018004"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037420609","display_name":"Carlos Fernandez-Lozano","orcid":"https://orcid.org/0000-0003-0413-5677"},"institutions":[{"id":"https://openalex.org/I11019714","display_name":"Universidade da Coru\u00f1a","ror":"https://ror.org/01qckj285","country_code":"ES","type":"education","lineage":["https://openalex.org/I11019714"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Carlos Fernandez-Lozano","raw_affiliation_strings":["Computer Science Faculty, University of A Coruna, Campus Elvi\u00f1a, s/n, 15071 A Coru\u00f1a, Spain","Computer Science Faculty, University of A Coruna, A Coru\u00f1a, Spain"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Computer Science Faculty, University of A Coruna, Campus Elvi\u00f1a, s/n, 15071 A Coru\u00f1a, Spain","institution_ids":["https://openalex.org/I11019714"]},{"raw_affiliation_string":"Computer Science Faculty, University of A Coruna, A Coru\u00f1a, Spain","institution_ids":["https://openalex.org/I11019714"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017246181","display_name":"Haralambos Sarimveis","orcid":"https://orcid.org/0000-0002-8607-9965"},"institutions":[{"id":"https://openalex.org/I174458059","display_name":"National Technical University of Athens","ror":"https://ror.org/03cx6bg69","country_code":"GR","type":"education","lineage":["https://openalex.org/I174458059"]}],"countries":["GR"],"is_corresponding":false,"raw_author_name":"Haralambos Sarimveis","raw_affiliation_strings":["School of Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechneiou Street, Zografou Campus, 15780 Athens, Greece","School of Chemical Engineering, National Technical University of Athens Athens, Greece"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Chemical Engineering, National Technical University of Athens, 9 Heroon Polytechneiou Street, Zografou Campus, 15780 Athens, Greece","institution_ids":["https://openalex.org/I174458059"]},{"raw_affiliation_string":"School of Chemical Engineering, National Technical University of Athens Athens, Greece","institution_ids":["https://openalex.org/I174458059"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5060194743","display_name":"Egon Willighagen","orcid":"https://orcid.org/0000-0001-7542-0286"},"institutions":[{"id":"https://openalex.org/I34352273","display_name":"Maastricht University","ror":"https://ror.org/02jz4aj89","country_code":"NL","type":"education","lineage":["https://openalex.org/I34352273"]}],"countries":["NL"],"is_corresponding":false,"raw_author_name":"Egon L. Willighagen","raw_affiliation_strings":["Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, P.O. Box 616, UNS50 Box 19, 6200 MD Maastricht, The Netherlands","Department of Bioinformatics - BiGCaT, NUTRIM, Maastricht University, Maastricht, The Netherlands"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Bioinformatics-BiGCaT, NUTRIM, Maastricht University, P.O. Box 616, UNS50 Box 19, 6200 MD Maastricht, The Netherlands","institution_ids":["https://openalex.org/I34352273"]},{"raw_affiliation_string":"Department of Bioinformatics - BiGCaT, NUTRIM, Maastricht University, Maastricht, The Netherlands","institution_ids":["https://openalex.org/I34352273"]}]}],"institutions":[],"countries_distinct_count":4,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5082102542"],"corresponding_institution_ids":["https://openalex.org/I174458059"],"apc_list":{"value":2190,"currency":"USD","value_usd":2190},"apc_paid":{"value":2190,"currency":"USD","value_usd":2190},"fwci":6.6908,"has_fulltext":true,"cited_by_count":75,"citation_normalized_percentile":{"value":0.97242174,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"7","issue":"1","first_page":"46","last_page":"46"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.14560000598430634,"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"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.14560000598430634,"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/T14065","display_name":"Biological Research and Disease Studies","score":0.06870000064373016,"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/T10079","display_name":"Nanoparticles: synthesis and applications","score":0.05990000069141388,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7379596829414368},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5951524972915649},{"id":"https://openalex.org/keywords/predictive-modelling","display_name":"Predictive modelling","score":0.5296727418899536},{"id":"https://openalex.org/keywords/feature-selection","display_name":"Feature selection","score":0.5229997038841248},{"id":"https://openalex.org/keywords/lasso","display_name":"Lasso (programming language)","score":0.5179969072341919},{"id":"https://openalex.org/keywords/regression-analysis","display_name":"Regression analysis","score":0.5172651410102844},{"id":"https://openalex.org/keywords/cross-validation","display_name":"Cross-validation","score":0.49918413162231445},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4917893707752228},{"id":"https://openalex.org/keywords/proper-linear-model","display_name":"Proper linear model","score":0.48904380202293396},{"id":"https://openalex.org/keywords/linear-regression","display_name":"Linear regression","score":0.47966694831848145},{"id":"https://openalex.org/keywords/multivariate-adaptive-regression-splines","display_name":"Multivariate adaptive regression splines","score":0.46608206629753113},{"id":"https://openalex.org/keywords/linear-model","display_name":"Linear model","score":0.46255698800086975},{"id":"https://openalex.org/keywords/regression","display_name":"Regression","score":0.4604976177215576},{"id":"https://openalex.org/keywords/model-selection","display_name":"Model selection","score":0.45966964960098267},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.33584821224212646},{"id":"https://openalex.org/keywords/nonparametric-regression","display_name":"Nonparametric regression","score":0.2540341019630432},{"id":"https://openalex.org/keywords/polynomial-regression","display_name":"Polynomial regression","score":0.24383053183555603},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.18481162190437317},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1156473457813263}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7379596829414368},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5951524972915649},{"id":"https://openalex.org/C45804977","wikidata":"https://www.wikidata.org/wiki/Q7239673","display_name":"Predictive modelling","level":2,"score":0.5296727418899536},{"id":"https://openalex.org/C148483581","wikidata":"https://www.wikidata.org/wiki/Q446488","display_name":"Feature selection","level":2,"score":0.5229997038841248},{"id":"https://openalex.org/C37616216","wikidata":"https://www.wikidata.org/wiki/Q3218363","display_name":"Lasso (programming language)","level":2,"score":0.5179969072341919},{"id":"https://openalex.org/C152877465","wikidata":"https://www.wikidata.org/wiki/Q208042","display_name":"Regression analysis","level":2,"score":0.5172651410102844},{"id":"https://openalex.org/C27181475","wikidata":"https://www.wikidata.org/wiki/Q541014","display_name":"Cross-validation","level":2,"score":0.49918413162231445},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4917893707752228},{"id":"https://openalex.org/C32224588","wikidata":"https://www.wikidata.org/wiki/Q7250175","display_name":"Proper linear model","level":4,"score":0.48904380202293396},{"id":"https://openalex.org/C48921125","wikidata":"https://www.wikidata.org/wiki/Q10861030","display_name":"Linear regression","level":2,"score":0.47966694831848145},{"id":"https://openalex.org/C44882253","wikidata":"https://www.wikidata.org/wiki/Q3455882","display_name":"Multivariate adaptive regression splines","level":4,"score":0.46608206629753113},{"id":"https://openalex.org/C163175372","wikidata":"https://www.wikidata.org/wiki/Q3339222","display_name":"Linear model","level":2,"score":0.46255698800086975},{"id":"https://openalex.org/C83546350","wikidata":"https://www.wikidata.org/wiki/Q1139051","display_name":"Regression","level":2,"score":0.4604976177215576},{"id":"https://openalex.org/C93959086","wikidata":"https://www.wikidata.org/wiki/Q6888345","display_name":"Model selection","level":2,"score":0.45966964960098267},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.33584821224212646},{"id":"https://openalex.org/C74127309","wikidata":"https://www.wikidata.org/wiki/Q3455886","display_name":"Nonparametric regression","level":3,"score":0.2540341019630432},{"id":"https://openalex.org/C120068334","wikidata":"https://www.wikidata.org/wiki/Q45343","display_name":"Polynomial regression","level":3,"score":0.24383053183555603},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.18481162190437317},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1156473457813263},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.1186/s13321-015-0094-2","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0094-2","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0094-2","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:26379782","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26379782","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 cheminformatics","raw_type":null},{"id":"pmh:oai:cris.maastrichtuniversity.nl:openaire/b739ba40-fe4d-4dbd-a82a-370334df51bd","is_oa":true,"landing_page_url":"https://cris.maastrichtuniversity.nl/en/publications/b739ba40-fe4d-4dbd-a82a-370334df51bd","pdf_url":null,"source":{"id":"https://openalex.org/S4306402616","display_name":"Research Publications (Maastricht University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I34352273","host_organization_name":"Maastricht University","host_organization_lineage":["https://openalex.org/I34352273"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Tsiliki, G, Munteanu, C R, Seoane, J A, Fernandez-Lozano, C, Sarimveis, H & Willighagen, E L 2015, 'RRegrs: an R package for computer-aided model selection with multiple regression models', Journal of Cheminformatics, vol. 7, no. 1, 46. https://doi.org/10.1186/s13321-015-0094-2","raw_type":"info:eu-repo/semantics/publishedVersion"},{"id":"pmh:oai:europepmc.org:3546313","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4570700","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s13321-015-0094-2","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0094-2","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/s13321-015-0094-2","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.550000011920929,"display_name":"Life below water","id":"https://metadata.un.org/sdg/14"}],"awards":[{"id":"https://openalex.org/G1483268778","display_name":null,"funder_award_id":"R2014/025","funder_id":"https://openalex.org/F4320326655","funder_display_name":"Xunta de Galicia"},{"id":"https://openalex.org/G2216279767","display_name":null,"funder_award_id":"FP7-NMP-2013-SMALL-7","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G4193446334","display_name":null,"funder_award_id":"2013-2016","funder_id":"https://openalex.org/F4320334923","funder_display_name":"Instituto de Salud Carlos III"},{"id":"https://openalex.org/G4333900429","display_name":null,"funder_award_id":"2013-2016","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G451698706","display_name":null,"funder_award_id":"FP7-NMP","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G6599398187","display_name":"eNanoMapper - A Database and Ontology Framework for Nanomaterials Design and Safety Assessment","funder_award_id":"604134","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G889588881","display_name":null,"funder_award_id":"604134","funder_id":"https://openalex.org/F4320338367","funder_display_name":"FP7 Nanosciences, Nanotechnologies, Materials and new Production Technologies"}],"funders":[{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320326655","display_name":"Xunta de Galicia","ror":"https://ror.org/0181xnw06"},{"id":"https://openalex.org/F4320334923","display_name":"Instituto de Salud Carlos III","ror":"https://ror.org/00ca2c886"},{"id":"https://openalex.org/F4320336576","display_name":"Spanish National Plan for Scientific and Technical Research and Innovation","ror":null},{"id":"https://openalex.org/F4320336663","display_name":"Center for Innovative Medicine","ror":null},{"id":"https://openalex.org/F4320338367","display_name":"FP7 Nanosciences, Nanotechnologies, Materials and new Production Technologies","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1957147548.pdf","grobid_xml":"https://content.openalex.org/works/W1957147548.grobid-xml"},"referenced_works_count":57,"referenced_works":["https://openalex.org/W115710901","https://openalex.org/W172019652","https://openalex.org/W1513618424","https://openalex.org/W1520773827","https://openalex.org/W1554663460","https://openalex.org/W1555199703","https://openalex.org/W1586249796","https://openalex.org/W1831050183","https://openalex.org/W1835740130","https://openalex.org/W1862448690","https://openalex.org/W1964357740","https://openalex.org/W1968299022","https://openalex.org/W1979900513","https://openalex.org/W1981464900","https://openalex.org/W1986241547","https://openalex.org/W1990399577","https://openalex.org/W1994389660","https://openalex.org/W2019637120","https://openalex.org/W2029469881","https://openalex.org/W2031195683","https://openalex.org/W2033757486","https://openalex.org/W2042631179","https://openalex.org/W2045256553","https://openalex.org/W2079917809","https://openalex.org/W2092971278","https://openalex.org/W2097705032","https://openalex.org/W2099875772","https://openalex.org/W2101234009","https://openalex.org/W2103459159","https://openalex.org/W2116133514","https://openalex.org/W2116924516","https://openalex.org/W2119387367","https://openalex.org/W2122284941","https://openalex.org/W2122825543","https://openalex.org/W2133990480","https://openalex.org/W2135046866","https://openalex.org/W2140493325","https://openalex.org/W2142553313","https://openalex.org/W2143426320","https://openalex.org/W2146713522","https://openalex.org/W2154029067","https://openalex.org/W2157016784","https://openalex.org/W2160785561","https://openalex.org/W2163329313","https://openalex.org/W2166446427","https://openalex.org/W2317866228","https://openalex.org/W2323147899","https://openalex.org/W2329094530","https://openalex.org/W2340543616","https://openalex.org/W2346841190","https://openalex.org/W2582743722","https://openalex.org/W2911964244","https://openalex.org/W2912430686","https://openalex.org/W3021575798","https://openalex.org/W3120740533","https://openalex.org/W4300858224","https://openalex.org/W4388297464"],"related_works":["https://openalex.org/W652992540","https://openalex.org/W2074089485","https://openalex.org/W4293563844","https://openalex.org/W4399653172","https://openalex.org/W2040236930","https://openalex.org/W2944249082","https://openalex.org/W2984480522","https://openalex.org/W4385299123","https://openalex.org/W2935025214","https://openalex.org/W2095987352"],"abstract_inverted_index":{"BACKGROUND:":[0],"Predictive":[1],"regression":[2,24,104,153,167,379],"models":[3,105,311],"can":[4],"be":[5,15,95,117,127,137],"created":[6],"with":[7,170,184,279,312,358,387],"many":[8],"different":[9,267],"modelling":[10,58,222,276],"approaches.":[11],"Choices":[12],"need":[13,62],"to":[14,70,86,116,136,214,349,389],"made":[16],"for":[17,63,150,285,296,305,317,376],"data":[18,264,284,307],"set":[19],"splitting,":[20],"cross-validation":[21,229],"methods,":[22],"specific":[23],"parameters":[25],"and":[26,36,43,48,52,59,74,102,106,112,140,165,173,194,224,228,246,274,293,320,357],"best":[27],"model":[28,46,72,81,227,373],"criteria,":[29],"as":[30,129,235,333,335],"they":[31],"all":[32,87,306],"affect":[33],"the":[34,39,77,114,160,217,226,249,256,327,351,360],"accuracy":[35],"efficiency":[37,271],"of":[38,65,79,90,162,219,255,340,354,362],"produced":[40],"predictive":[41,57,80,355],"models,":[42,154,356],"therefore,":[44],"raising":[45],"reproducibility":[47],"comparison":[49],"issues.":[50],"Cheminformatics":[51],"bioinformatics":[53],"are":[54],"extensively":[55],"using":[56,261],"exhibit":[60],"a":[61,130,346,371,383],"standardization":[64],"these":[66],"methodologies":[67],"in":[68,134,221,272,326,338,365],"order":[69,135],"assist":[71,350],"selection":[73,374],"speed":[75],"up":[76],"process":[78],"development.":[82],"A":[83],"tool":[84,158],"accessible":[85],"users,":[88],"irrespectively":[89],"their":[91],"statistical":[92],"knowledge,":[93],"would":[94],"valuable":[96],"if":[97],"it":[98],"tests":[99],"several":[100],"simple":[101,164],"complex":[103,166],"validation":[107],"schemes,":[108],"produce":[109],"unified":[110],"reports,":[111],"offer":[113],"option":[115,161],"integrated":[118,148],"into":[119],"more":[120,363],"extensive":[121],"studies.":[122],"Additionally,":[123],"such":[124],"methodology":[125,232,258],"should":[126],"implemented":[128,234],"free":[131],"programming":[132],"package,":[133,240],"continuously":[138],"adapted":[139],"redistributed":[141],"by":[142,244],"others.":[143],"RESULTS:":[144],"We":[145],"propose":[146],"an":[147,205,236],"framework":[149,203,348,375],"creating":[151],"multiple":[152,378],"called":[155],"RRegrs.":[156],"The":[157,201,231,253,301],"offers":[159],"ten":[163],"methods":[168],"combined":[169],"repeated":[171],"10-fold":[172],"leave-one-out":[174],"cross-validation.":[175],"Methods":[176],"include":[177],"Multiple":[178],"Linear":[179,182],"regression,":[180,191,193],"Generalized":[181],"Model":[183],"Stepwise":[185],"Feature":[186,199],"Selection,":[187],"Partial":[188],"Least":[189],"Squares":[190],"Lasso":[192],"Support":[195],"Vector":[196],"Machines":[197],"Recursive":[198],"Elimination.":[200],"new":[202,257],"is":[204,259,277,370,382],"automated":[206],"fully":[207,384],"validated":[208,385],"procedure":[209,386],"which":[210],"produces":[211],"standardized":[212],"reports":[213,310],"quickly":[215],"oversee":[216],"impact":[218],"choices":[220],"algorithms":[223],"assess":[225],"results.":[230],"was":[233],"open":[237],"source":[238],"R":[239,377],"available":[241],"at":[242],"https://www.github.com/enanomapper/RRegrs,":[243],"reusing":[245],"extending":[247],"on":[248],"caret":[250],"package.":[251],"CONCLUSION:":[252],"universality":[254],"demonstrated":[260],"five":[262],"standard":[263],"sets":[265,308,322],"from":[266],"scientific":[268],"fields.":[269],"Its":[270,330],"cheminformatics":[273],"QSAR":[275,390],"shown":[278],"three":[280],"use":[281],"cases:":[282],"proteomics":[283],"surface-modified":[286],"gold":[287],"nanoparticles,":[288],"nano-metal":[289],"oxides":[290],"descriptor":[291],"data,":[292],"molecular":[294],"descriptors":[295],"acute":[297],"aquatic":[298],"toxicity":[299],"data.":[300],"results":[302],"show":[303],"that":[304],"RRegrs":[309,345],"equal":[313],"or":[314],"better":[315],"performance":[316,332],"both":[318],"training":[319],"test":[321],"than":[323],"those":[324],"reported":[325],"original":[328],"publications.":[329],"good":[331],"well":[334],"its":[336],"adaptability":[337],"terms":[339],"parameter":[341],"optimization":[342],"could":[343],"make":[344],"popular":[347],"initial":[352],"exploration":[353],"that,":[359],"design":[361],"comprehensive":[364],"silico":[366],"screening":[367],"applications.Graphical":[368],"abstractRRegrs":[369],"computer-aided":[372],"models;":[380],"this":[381],"application":[388],"modelling.":[391]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":5},{"year":2024,"cited_by_count":6},{"year":2023,"cited_by_count":8},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":5},{"year":2020,"cited_by_count":11},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":6},{"year":2017,"cited_by_count":7},{"year":2016,"cited_by_count":6},{"year":2015,"cited_by_count":1}],"updated_date":"2026-07-25T15:57:00.446498","created_date":"2025-10-10T00:00:00"}