{"id":"https://openalex.org/W2559145072","doi":"https://doi.org/10.1186/s13321-016-0182-y","title":"A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood","display_name":"A novel applicability domain technique for mapping predictive reliability across the chemical space of a QSAR: reliability-density neighbourhood","publication_year":2016,"publication_date":"2016-12-01","ids":{"openalex":"https://openalex.org/W2559145072","doi":"https://doi.org/10.1186/s13321-016-0182-y","mag":"2559145072"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-016-0182-y","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-016-0182-y","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-016-0182-y","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"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-016-0182-y","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5051424378","display_name":"Nat\u00e1lia Aniceto","orcid":"https://orcid.org/0000-0001-7039-0022"},"institutions":[{"id":"https://openalex.org/I167056439","display_name":"Medway School of Pharmacy","ror":"https://ror.org/00fa9v295","country_code":"GB","type":"education","lineage":["https://openalex.org/I167056439"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Nat\u00e1lia Aniceto","raw_affiliation_strings":["Medway School of Pharmacy, Universities of Kent and Greenwich, Anson Building, Central Avenue, Chatham, Kent, ME4 4TB, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Medway School of Pharmacy, Universities of Kent and Greenwich, Anson Building, Central Avenue, Chatham, Kent, ME4 4TB, UK","institution_ids":["https://openalex.org/I167056439"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087201377","display_name":"Alex A. Freitas","orcid":"https://orcid.org/0000-0001-9825-4700"},"institutions":[{"id":"https://openalex.org/I20581793","display_name":"University of Kent","ror":"https://ror.org/00xkeyj56","country_code":"GB","type":"education","lineage":["https://openalex.org/I20581793"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Alex A. Freitas","raw_affiliation_strings":["School of Computing, University of Kent, Canterbury, Kent, CT2 7NF, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computing, University of Kent, Canterbury, Kent, CT2 7NF, UK","institution_ids":["https://openalex.org/I20581793"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026643759","display_name":"Andreas Bender","orcid":"https://orcid.org/0000-0002-6683-7546"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Andreas Bender","raw_affiliation_strings":["Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Molecular Science Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5035073798","display_name":"Taravat Ghafourian","orcid":"https://orcid.org/0000-0002-3136-3117"},"institutions":[{"id":"https://openalex.org/I162608824","display_name":"University of Sussex","ror":"https://ror.org/00ayhx656","country_code":"GB","type":"education","lineage":["https://openalex.org/I162608824"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Taravat Ghafourian","raw_affiliation_strings":["School of Life Sciences, JMS Building, University of Sussex, Brighton, BN1 9QG, UK"],"raw_orcid":"https://orcid.org/0000-0002-3136-3117","affiliations":[{"raw_affiliation_string":"School of Life Sciences, JMS Building, University of Sussex, Brighton, BN1 9QG, UK","institution_ids":["https://openalex.org/I162608824"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5035073798"],"corresponding_institution_ids":["https://openalex.org/I162608824"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":16.2204,"has_fulltext":true,"cited_by_count":149,"citation_normalized_percentile":{"value":0.99186395,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"8","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9987000226974487,"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"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9908999800682068,"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/computer-science","display_name":"Computer science","score":0.6978929042816162},{"id":"https://openalex.org/keywords/applicability-domain","display_name":"Applicability domain","score":0.6653693318367004},{"id":"https://openalex.org/keywords/reliability","display_name":"Reliability (semiconductor)","score":0.6645143628120422},{"id":"https://openalex.org/keywords/neighbourhood","display_name":"Neighbourhood (mathematics)","score":0.5635700821876526},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.5392659306526184},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5326312184333801},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5164473056793213},{"id":"https://openalex.org/keywords/domain","display_name":"Domain (mathematical analysis)","score":0.5066100358963013},{"id":"https://openalex.org/keywords/matching","display_name":"Matching (statistics)","score":0.5002484321594238},{"id":"https://openalex.org/keywords/test-set","display_name":"Test set","score":0.44306662678718567},{"id":"https://openalex.org/keywords/novelty","display_name":"Novelty","score":0.43939611315727234},{"id":"https://openalex.org/keywords/feature","display_name":"Feature (linguistics)","score":0.4322536587715149},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.42831140756607056},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.38161152601242065},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.36751478910446167},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.23162153363227844},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.1986711025238037},{"id":"https://openalex.org/keywords/statistics","display_name":"Statistics","score":0.17012470960617065}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6978929042816162},{"id":"https://openalex.org/C107908354","wikidata":"https://www.wikidata.org/wiki/Q4781456","display_name":"Applicability domain","level":3,"score":0.6653693318367004},{"id":"https://openalex.org/C43214815","wikidata":"https://www.wikidata.org/wiki/Q7310987","display_name":"Reliability (semiconductor)","level":3,"score":0.6645143628120422},{"id":"https://openalex.org/C161677786","wikidata":"https://www.wikidata.org/wiki/Q2478475","display_name":"Neighbourhood (mathematics)","level":2,"score":0.5635700821876526},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.5392659306526184},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5326312184333801},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5164473056793213},{"id":"https://openalex.org/C36503486","wikidata":"https://www.wikidata.org/wiki/Q11235244","display_name":"Domain (mathematical analysis)","level":2,"score":0.5066100358963013},{"id":"https://openalex.org/C165064840","wikidata":"https://www.wikidata.org/wiki/Q1321061","display_name":"Matching (statistics)","level":2,"score":0.5002484321594238},{"id":"https://openalex.org/C169903167","wikidata":"https://www.wikidata.org/wiki/Q3985153","display_name":"Test set","level":2,"score":0.44306662678718567},{"id":"https://openalex.org/C2778738651","wikidata":"https://www.wikidata.org/wiki/Q16546687","display_name":"Novelty","level":2,"score":0.43939611315727234},{"id":"https://openalex.org/C2776401178","wikidata":"https://www.wikidata.org/wiki/Q12050496","display_name":"Feature (linguistics)","level":2,"score":0.4322536587715149},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.42831140756607056},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.38161152601242065},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.36751478910446167},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.23162153363227844},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.1986711025238037},{"id":"https://openalex.org/C105795698","wikidata":"https://www.wikidata.org/wiki/Q12483","display_name":"Statistics","level":1,"score":0.17012470960617065},{"id":"https://openalex.org/C163258240","wikidata":"https://www.wikidata.org/wiki/Q25342","display_name":"Power (physics)","level":2,"score":0.0},{"id":"https://openalex.org/C27206212","wikidata":"https://www.wikidata.org/wiki/Q34178","display_name":"Theology","level":1,"score":0.0},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","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},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"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/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C41895202","wikidata":"https://www.wikidata.org/wiki/Q8162","display_name":"Linguistics","level":1,"score":0.0},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.0},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-016-0182-y","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-016-0182-y","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-016-0182-y","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":"pmh:oai:kar.kent.ac.uk:60709","is_oa":false,"landing_page_url":"https://doi.org/10.1186/s13321-016-0182-y>)","pdf_url":null,"source":{"id":"https://openalex.org/S4377196264","display_name":"Kent Academic Repository (University of Kent)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I20581793","host_organization_name":"University of Kent","host_organization_lineage":["https://openalex.org/I20581793"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"PeerReviewed"},{"id":"pmh:oai:europepmc.org:4267513","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5395519","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"},{"id":"pmh:oai:figshare.com:article/23451290","is_oa":true,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4377196282","display_name":"Figshare","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210132348","host_organization_name":"Figshare (United Kingdom)","host_organization_lineage":["https://openalex.org/I4210132348"],"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":"","raw_type":"Text"},{"id":"pmh:oai:sro.sussex.ac.uk:71641","is_oa":true,"landing_page_url":"http://sro.sussex.ac.uk/id/eprint/71641/1/s13321-016-0182-y.pdf","pdf_url":null,"source":{"id":"https://openalex.org/S4306400129","display_name":"Sussex Research Online (University of Sussex)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I162608824","host_organization_name":"University of Sussex","host_organization_lineage":["https://openalex.org/I162608824"],"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":"","raw_type":"Article"}],"best_oa_location":{"id":"doi:10.1186/s13321-016-0182-y","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-016-0182-y","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-016-0182-y","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":[{"id":"https://metadata.un.org/sdg/11","display_name":"Sustainable cities and communities","score":0.6100000143051147}],"awards":[],"funders":[{"id":"https://openalex.org/F4320320666","display_name":"University of Kent","ror":"https://ror.org/00xkeyj56"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2559145072.pdf","grobid_xml":"https://content.openalex.org/works/W2559145072.grobid-xml"},"referenced_works_count":47,"referenced_works":["https://openalex.org/W560846839","https://openalex.org/W572368116","https://openalex.org/W1141488758","https://openalex.org/W1254233430","https://openalex.org/W1500895378","https://openalex.org/W1513771272","https://openalex.org/W1540105270","https://openalex.org/W1570814512","https://openalex.org/W1570912112","https://openalex.org/W1972677736","https://openalex.org/W1983404175","https://openalex.org/W2008450902","https://openalex.org/W2009036481","https://openalex.org/W2030827714","https://openalex.org/W2039236684","https://openalex.org/W2039609876","https://openalex.org/W2042278642","https://openalex.org/W2048611698","https://openalex.org/W2056168656","https://openalex.org/W2075370603","https://openalex.org/W2079699273","https://openalex.org/W2081420180","https://openalex.org/W2085890279","https://openalex.org/W2086190989","https://openalex.org/W2089578131","https://openalex.org/W2092977448","https://openalex.org/W2093238926","https://openalex.org/W2099071242","https://openalex.org/W2109676405","https://openalex.org/W2119381787","https://openalex.org/W2119723273","https://openalex.org/W2126704195","https://openalex.org/W2126963804","https://openalex.org/W2147781375","https://openalex.org/W2150256001","https://openalex.org/W2152452453","https://openalex.org/W2157690157","https://openalex.org/W2166881669","https://openalex.org/W2325310505","https://openalex.org/W2397510889","https://openalex.org/W2439662755","https://openalex.org/W2479496236","https://openalex.org/W2515072645","https://openalex.org/W2911681169","https://openalex.org/W4244781008","https://openalex.org/W4253728605","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W2577224147","https://openalex.org/W2985233215","https://openalex.org/W1971887369","https://openalex.org/W4310940448","https://openalex.org/W2944072554","https://openalex.org/W3171699213","https://openalex.org/W2026429211","https://openalex.org/W2018447790","https://openalex.org/W2562984628","https://openalex.org/W644309761"],"abstract_inverted_index":{"The":[0,73],"ability":[1],"to":[2,21,41,89,142,237,264,290,302],"define":[3],"the":[4,23,39,60,90,96,110,116,131,148,157,167,213,216,224,232,239,243,251,267,275,280,287,321,332,336],"regions":[5,46,165],"of":[6,25,64,77,92,150,215,269,277,318,323],"chemical":[7,36,111],"space":[8,37,112],"where":[9,166],"a":[10,18,50,68,137,205,211,260,292,306,324],"predictive":[11,144,303],"model":[12,168,326],"can":[13,296,310],"be":[14,33,291,311],"safely":[15],"used":[16,219],"is":[17,80,183,199,202],"necessary":[19],"condition":[20],"assure":[22],"reliability":[24,31,152],"new":[26,124,191,261,299,328],"predictions.":[27],"This":[28,146,172],"implies":[29],"that":[30,58,81,123,139,186,200,295],"must":[32],"determined":[34],"across":[35,153],"in":[38,95,135,156,196,255,284,327],"attempt":[40],"localize":[42],"\u201csafe\u201d":[43],"and":[44,105,161],"\u201cunsafe\u201d":[45],"for":[47,320],"prediction.":[48],"As":[49,210,250,305],"result":[51],"we":[52,258],"devised":[53],"an":[54,184,270,314],"applicability":[55,117,132,271,281],"domain":[56,118,133,272,282],"technique":[57,198,309],"addresses":[59],"data":[61],"locally":[62],"instead":[63],"handling":[65],"it":[66,82,120,187,201],"as":[67,99,101,235,247,316],"whole\u2014the":[69],"reliability-density":[70],"neighbourhood":[71,94],"(RDN).":[72],"main":[74],"novelty":[75],"aspect":[76,195],"this":[78,197,256,308],"method":[79,173,294],"characterizes":[83],"each":[84],"single":[85],"training":[86,97,158],"instance":[87],"according":[88,301],"density":[91],"its":[93,102],"set,":[98],"well":[100],"individual":[103],"bias":[104],"precision.":[106],"By":[107],"scanning":[108],"through":[109],"(by":[113],"iteratively":[114],"increasing":[115],"area),":[119],"was":[121,220],"observed":[122],"test":[125],"compounds":[126],"are":[127],"successively":[128],"included":[129],"into":[130],"region":[134],"such":[136],"manner":[138],"strongly":[140],"correlates":[141],"their":[143],"performance.":[145,304],"allows":[147,163],"mapping":[149],"local":[151],"different":[154],"locations":[155],"set":[159,218,246],"space,":[160],"thus":[162,330],"identifying":[164],"has":[169],"low":[170],"reliability.":[171],"also":[174],"showed":[175,289],"matching":[176],"profiles":[177],"between":[178],"two":[179],"external":[180],"sets,":[181],"which":[182,223],"indication":[185],"performs":[188],"robustly":[189],"with":[190,204],"data.":[192],"Another":[193],"novel":[194,253],"paired":[203],"specific":[206],"feature":[207,217,245],"selection":[208],"algorithm.":[209],"result,":[212,307],"impact":[214],"studied":[221],"from":[222],"top":[225],"20":[226],"features":[227,241],"selected":[228],"by":[229,313],"ReliefF":[230],"yielded":[231],"best":[233],"results,":[234],"opposed":[236],"using":[238],"model\u2019s":[240],"or":[242],"entire":[244],"commonly":[248],"done.":[249],"third":[252],"aspect,":[254],"work":[257],"propose":[259],"scoring":[262],"function":[263],"help":[265],"evaluate":[266],"quality":[268],"profile":[273],"(i.e.,":[274],"curve":[276],"accuracy":[278],"vs":[279],"measure":[283],"question).":[285],"Overall,":[286],"RDN":[288],"promising":[293],"correctly":[297],"sort":[298],"instances":[300],"received":[312],"end-user":[315],"proof":[317],"concept":[319],"performance":[322],"QSAR":[325,337],"data,":[329],"promoting":[331],"user\u2019s":[333],"trust":[334],"on":[335],"output.":[338]},"counts_by_year":[{"year":2026,"cited_by_count":8},{"year":2025,"cited_by_count":8},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":12},{"year":2022,"cited_by_count":9},{"year":2021,"cited_by_count":44},{"year":2020,"cited_by_count":20},{"year":2019,"cited_by_count":16},{"year":2018,"cited_by_count":15},{"year":2017,"cited_by_count":14}],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}
