{"id":"https://openalex.org/W2025642685","doi":"https://doi.org/10.1021/ci020377j","title":"VSMP:\u2009 A Novel Variable Selection and Modeling Method Based on the Prediction","display_name":"VSMP:\u2009 A Novel Variable Selection and Modeling Method Based on the Prediction","publication_year":2003,"publication_date":"2003-04-04","ids":{"openalex":"https://openalex.org/W2025642685","doi":"https://doi.org/10.1021/ci020377j","mag":"2025642685","pmid":"https://pubmed.ncbi.nlm.nih.gov/12767155"},"language":"en","primary_location":{"id":"doi:10.1021/ci020377j","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci020377j","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","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/A5052846612","display_name":"Shu\u2010Shen Liu","orcid":"https://orcid.org/0000-0002-2160-9750"},"institutions":[{"id":"https://openalex.org/I4210090489","display_name":"State Key Laboratory of Pollution Control and Resource Reuse","ror":"https://ror.org/00073tb80","country_code":"CN","type":"facility","lineage":["https://openalex.org/I116953780","https://openalex.org/I4210090489","https://openalex.org/I881766915"]},{"id":"https://openalex.org/I881766915","display_name":"Nanjing University","ror":"https://ror.org/01rxvg760","country_code":"CN","type":"education","lineage":["https://openalex.org/I881766915"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Shu-Shen Liu","raw_affiliation_strings":["State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China","institution_ids":["https://openalex.org/I4210090489","https://openalex.org/I881766915"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100663865","display_name":"Hailing Liu","orcid":"https://orcid.org/0000-0002-8987-5895"},"institutions":[{"id":"https://openalex.org/I4210090489","display_name":"State Key Laboratory of Pollution Control and Resource Reuse","ror":"https://ror.org/00073tb80","country_code":"CN","type":"facility","lineage":["https://openalex.org/I116953780","https://openalex.org/I4210090489","https://openalex.org/I881766915"]},{"id":"https://openalex.org/I881766915","display_name":"Nanjing University","ror":"https://ror.org/01rxvg760","country_code":"CN","type":"education","lineage":["https://openalex.org/I881766915"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hai-Ling Liu","raw_affiliation_strings":["State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China","institution_ids":["https://openalex.org/I4210090489","https://openalex.org/I881766915"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100867382","display_name":"Chunsheng Yin","orcid":null},"institutions":[{"id":"https://openalex.org/I4210090489","display_name":"State Key Laboratory of Pollution Control and Resource Reuse","ror":"https://ror.org/00073tb80","country_code":"CN","type":"facility","lineage":["https://openalex.org/I116953780","https://openalex.org/I4210090489","https://openalex.org/I881766915"]},{"id":"https://openalex.org/I881766915","display_name":"Nanjing University","ror":"https://ror.org/01rxvg760","country_code":"CN","type":"education","lineage":["https://openalex.org/I881766915"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chun-Sheng Yin","raw_affiliation_strings":["State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China","institution_ids":["https://openalex.org/I4210090489","https://openalex.org/I881766915"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100613490","display_name":"Liansheng Wang","orcid":"https://orcid.org/0000-0002-1835-7601"},"institutions":[{"id":"https://openalex.org/I4210090489","display_name":"State Key Laboratory of Pollution Control and Resource Reuse","ror":"https://ror.org/00073tb80","country_code":"CN","type":"facility","lineage":["https://openalex.org/I116953780","https://openalex.org/I4210090489","https://openalex.org/I881766915"]},{"id":"https://openalex.org/I881766915","display_name":"Nanjing University","ror":"https://ror.org/01rxvg760","country_code":"CN","type":"education","lineage":["https://openalex.org/I881766915"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Lian-Sheng Wang","raw_affiliation_strings":["State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Pollution Control and Resources Reuse, Department of Environmental Science & Engineering, Nanjing University, Nanjing 210093, P. R. China, and Department of Applied Chemistry, Guilin Institute of Technology, Guilin 541004, P. R. China","institution_ids":["https://openalex.org/I4210090489","https://openalex.org/I881766915"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5052846612"],"corresponding_institution_ids":["https://openalex.org/I4210090489","https://openalex.org/I881766915"],"apc_list":null,"apc_paid":null,"fwci":6.7862,"has_fulltext":false,"cited_by_count":94,"citation_normalized_percentile":{"value":0.975752,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":99},"biblio":{"volume":"43","issue":"3","first_page":"964","last_page":"969"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9914000034332275,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9914000034332275,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9876999855041504,"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/T10876","display_name":"Fault Detection and Control Systems","score":0.9836000204086304,"subfield":{"id":"https://openalex.org/subfields/2207","display_name":"Control and Systems Engineering"},"field":{"id":"https://openalex.org/fields/22","display_name":"Engineering"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/selection","display_name":"Selection (genetic algorithm)","score":0.6505017280578613},{"id":"https://openalex.org/keywords/variable","display_name":"Variable (mathematics)","score":0.6105042695999146},{"id":"https://openalex.org/keywords/feature-selection","display_name":"Feature selection","score":0.5664853453636169},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5388701558113098},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.4176938235759735},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.3300769329071045},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.24331220984458923}],"concepts":[{"id":"https://openalex.org/C81917197","wikidata":"https://www.wikidata.org/wiki/Q628760","display_name":"Selection (genetic algorithm)","level":2,"score":0.6505017280578613},{"id":"https://openalex.org/C182365436","wikidata":"https://www.wikidata.org/wiki/Q50701","display_name":"Variable (mathematics)","level":2,"score":0.6105042695999146},{"id":"https://openalex.org/C148483581","wikidata":"https://www.wikidata.org/wiki/Q446488","display_name":"Feature selection","level":2,"score":0.5664853453636169},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5388701558113098},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.4176938235759735},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3300769329071045},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.24331220984458923},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1021/ci020377j","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci020377j","pdf_url":null,"source":{"id":"https://openalex.org/S171559003","display_name":"Journal of Chemical Information and Computer Sciences","issn_l":"0095-2338","issn":["0095-2338","1520-5142"],"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 Computer Sciences","raw_type":"journal-article"},{"id":"pmid:12767155","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/12767155","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 computer sciences","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":18,"referenced_works":["https://openalex.org/W1966793708","https://openalex.org/W1987460555","https://openalex.org/W1996346862","https://openalex.org/W1999985301","https://openalex.org/W2015870870","https://openalex.org/W2032865649","https://openalex.org/W2061275641","https://openalex.org/W2063060349","https://openalex.org/W2066831037","https://openalex.org/W2072088140","https://openalex.org/W2075937340","https://openalex.org/W2087661061","https://openalex.org/W2089867178","https://openalex.org/W2101487943","https://openalex.org/W2154671771","https://openalex.org/W3023540311","https://openalex.org/W4244830062","https://openalex.org/W4244971048"],"related_works":["https://openalex.org/W2961085424","https://openalex.org/W4306674287","https://openalex.org/W3046775127","https://openalex.org/W3107602296","https://openalex.org/W4394896187","https://openalex.org/W3170094116","https://openalex.org/W4386462264","https://openalex.org/W4364306694","https://openalex.org/W4312192474","https://openalex.org/W4283697347"],"abstract_inverted_index":{"The":[0,166,200],"use":[1],"of":[2,8,47,80,122,168,203,218,221,248],"numerous":[3],"descriptors":[4,27],"that":[5],"are":[6,37,139],"indicative":[7],"molecular":[9],"structure":[10],"and":[11,61,99,127],"topology":[12],"is":[13,31,78,173,207],"becoming":[14],"more":[15],"common":[16,73],"in":[17,183,194],"quantitative":[18],"structure-activity":[19],"relationship":[20],"(QSAR).":[21],"How":[22],"to":[23,41,71,144,158,225],"choose":[24],"the":[25,83,104,116,120,123,128,134,142,152,159,176,184,190,195,210,219,222,226,245,249],"adequate":[26],"for":[28,106],"QSAR":[29],"studies":[30],"important":[32],"but":[33],"difficult":[34],"because":[35],"there":[36],"no":[38],"absolute":[39],"rules":[40],"govern":[42],"this":[43,72,93],"choice.":[44],"A":[45,216],"variety":[46],"variable":[48,85,97,154],"selection":[49,98,155],"techniques":[50],"including":[51],"stepwise,":[52],"partial":[53],"least":[54],"squares/principal":[55],"component":[56],"analysis":[57],"(PLS/PCA),":[58],"neural":[59],"network,":[60],"evolutionary":[62],"algorithm":[63,67],"such":[64],"as":[65],"genetic":[66],"have":[68],"been":[69,110],"applied":[70,224],"problem.":[74],"All-subsets":[75],"regression":[76],"(ASR)":[77],"capable":[79],"finding":[81],"out":[82],"best":[84],"subset":[86,171],"from":[87,151,241],"among":[88],"a":[89,95],"large":[90],"pool.":[91],"In":[92],"paper,":[94],"novel":[96],"modeling":[100,196],"method":[101],"based":[102],"on":[103],"prediction,":[105],"short":[107],"VSMP,":[108],"has":[109],"developed.":[111],"Here":[112],"two":[113,162],"controllable":[114],"parameters,":[115],"interrelation":[117],"coefficient":[118,130,192],"between":[119],"pairs":[121],"independent":[124],"variables":[125],"(r(int))":[126],"correlation":[129,191],"(q(2))":[131],"obtained":[132,193,240],"using":[133],"leave-one-out":[135],"(LOO)":[136],"cross-validation":[137,186],"technique,":[138],"introduced":[140],"into":[141],"ASR":[143,160],"improve":[145],"its":[146],"performances.":[147],"This":[148],"technique":[149],"differs":[150],"other":[153],"procedures":[156],"related":[157],"by":[161,175,209],"main":[163],"features:":[164],"(1)":[165],"search":[167,172],"various":[169],"optimal":[170,205],"controlled":[174],"statistic":[177,211],"q(2)":[178],"or":[179],"root-mean-square":[180],"error":[181],"(RMSEP)":[182],"LOO":[185],"step":[187,197],"rather":[188],"than":[189],"(r(2)).":[198],"(2)":[199],"searching":[201],"speed":[202],"all":[204],"subsets":[206],"expedited":[208],"r(int)":[212],"together":[213],"with":[214,238],"q(2).":[215],"comparison":[217],"results":[220],"VSMP":[223],"Selwood":[227],"data":[228],"set":[229],"(n":[230],"=":[231,235],"31":[232],"compounds,":[233],"m":[234],"53":[236],"descriptors)":[237],"those":[239],"alternative":[242],"algorithms":[243],"shows":[244],"good":[246],"performance":[247],"technique.":[250]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":3},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":3},{"year":2015,"cited_by_count":5},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":4},{"year":2012,"cited_by_count":9}],"updated_date":"2026-06-23T06:36:01.041984","created_date":"2025-10-10T00:00:00"}