{"id":"https://openalex.org/W18956863","doi":"https://doi.org/10.1021/ci8001556","title":"\u0422\u0435\u043e\u0440\u0435\u0442\u0438\u0447\u0435\u0441\u043a\u043e\u0435 \u043e\u0431\u043e\u0441\u043d\u043e\u0432\u0430\u043d\u0438\u0435 \u0440\u0430\u0437\u0440\u0430\u0431\u043e\u0442\u043a\u0438 \u0438 \u043f\u0440\u043e\u0432\u0435\u0434\u0435\u043d\u0438\u044f \u0433\u043e\u0441\u0443\u0434\u0430\u0440\u0441\u0442\u0432\u0435\u043d\u043d\u043e\u0439 \u044d\u043a\u043e\u043d\u043e\u043c\u0438\u0447\u0435\u0441\u043a\u043e\u0439 \u043f\u043e\u043b\u0438\u0442\u0438\u043a\u0438","display_name":"\u0422\u0435\u043e\u0440\u0435\u0442\u0438\u0447\u0435\u0441\u043a\u043e\u0435 \u043e\u0431\u043e\u0441\u043d\u043e\u0432\u0430\u043d\u0438\u0435 \u0440\u0430\u0437\u0440\u0430\u0431\u043e\u0442\u043a\u0438 \u0438 \u043f\u0440\u043e\u0432\u0435\u0434\u0435\u043d\u0438\u044f \u0433\u043e\u0441\u0443\u0434\u0430\u0440\u0441\u0442\u0432\u0435\u043d\u043d\u043e\u0439 \u044d\u043a\u043e\u043d\u043e\u043c\u0438\u0447\u0435\u0441\u043a\u043e\u0439 \u043f\u043e\u043b\u0438\u0442\u0438\u043a\u0438","publication_year":2010,"publication_date":"2010-01-01","ids":{"openalex":"https://openalex.org/W18956863","doi":"https://doi.org/10.1021/ci8001556","mag":"18956863"},"language":"en","primary_location":{"id":"mag:18956863","is_oa":false,"landing_page_url":"https://cyberleninka.ru/article/n/teoreticheskoe-obosnovanie-razrabotki-i-provedeniya-gosudarstvennoy-ekonomicheskoy-politiki","pdf_url":null,"source":{"id":"https://openalex.org/S4306540270","display_name":"\u0421\u043e\u0446\u0438\u0430\u043b\u044c\u043d\u043e-\u044d\u043a\u043e\u043d\u043e\u043c\u0438\u0447\u0435\u0441\u043a\u0438\u0435 \u044f\u0432\u043b\u0435\u043d\u0438\u044f \u0438 \u043f\u0440\u043e\u0446\u0435\u0441\u0441\u044b","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u0421\u043e\u0446\u0438\u0430\u043b\u044c\u043d\u043e-\u044d\u043a\u043e\u043d\u043e\u043c\u0438\u0447\u0435\u0441\u043a\u0438\u0435 \u044f\u0432\u043b\u0435\u043d\u0438\u044f \u0438 \u043f\u0440\u043e\u0446\u0435\u0441\u0441\u044b","raw_type":null},"type":"article","indexed_in":[],"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/A5041571369","display_name":"\u0412. \u0412. \u0410\u043d\u0434\u0440\u043e\u0441\u043e\u0432","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"\u0412. \u0412. \u0410\u043d\u0434\u0440\u043e\u0441\u043e\u0432","raw_affiliation_strings":[],"raw_orcid":null,"affiliations":[]}],"institutions":[],"countries_distinct_count":0,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5041571369"],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.00592807,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"48","issue":"1","first_page":"2180","last_page":"95"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T13172","display_name":"Economic Issues in Ukraine","score":0.39989998936653137,"subfield":{"id":"https://openalex.org/subfields/2000","display_name":"General Economics, Econometrics and Finance"},"field":{"id":"https://openalex.org/fields/20","display_name":"Economics, Econometrics and Finance"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}},"topics":[{"id":"https://openalex.org/T13172","display_name":"Economic Issues in Ukraine","score":0.39989998936653137,"subfield":{"id":"https://openalex.org/subfields/2000","display_name":"General Economics, Econometrics and Finance"},"field":{"id":"https://openalex.org/fields/20","display_name":"Economics, Econometrics and Finance"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/economics","display_name":"Economics","score":0.6177207231521606},{"id":"https://openalex.org/keywords/economic-policy","display_name":"Economic policy","score":0.36389875411987305}],"concepts":[{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.6177207231521606},{"id":"https://openalex.org/C105639569","wikidata":"https://www.wikidata.org/wiki/Q582577","display_name":"Economic policy","level":1,"score":0.36389875411987305}],"mesh":[],"locations_count":1,"locations":[{"id":"mag:18956863","is_oa":false,"landing_page_url":"https://cyberleninka.ru/article/n/teoreticheskoe-obosnovanie-razrabotki-i-provedeniya-gosudarstvennoy-ekonomicheskoy-politiki","pdf_url":null,"source":{"id":"https://openalex.org/S4306540270","display_name":"\u0421\u043e\u0446\u0438\u0430\u043b\u044c\u043d\u043e-\u044d\u043a\u043e\u043d\u043e\u043c\u0438\u0447\u0435\u0441\u043a\u0438\u0435 \u044f\u0432\u043b\u0435\u043d\u0438\u044f \u0438 \u043f\u0440\u043e\u0446\u0435\u0441\u0441\u044b","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u0421\u043e\u0446\u0438\u0430\u043b\u044c\u043d\u043e-\u044d\u043a\u043e\u043d\u043e\u043c\u0438\u0447\u0435\u0441\u043a\u0438\u0435 \u044f\u0432\u043b\u0435\u043d\u0438\u044f \u0438 \u043f\u0440\u043e\u0446\u0435\u0441\u0441\u044b","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":0,"referenced_works":[],"related_works":[],"abstract_inverted_index":{"Multiple":[0],"R-groups":[1,324],"(monovalent":[2],"fragments)":[3],"are":[4,258],"implicitly":[5],"accessible":[6],"within":[7,270,315],"most":[8,47],"of":[9,52,67,83,135,158,172,189,225,273,283,322],"the":[10,90,107,123,132,140,162,187,209,222,226,230,235,244,290,294,328,339],"molecular":[11],"structures":[12,275,314],"that":[13,246,267],"populate":[14],"large":[15,271],"structural":[16],"databases.":[17],"R-group":[18,35,250,284,309],"searching":[19],"would":[20,276],"desirably":[21],"consider":[22],"pIC50":[23,40,53,116,136,145,176,219,228,257,331],"contribution":[24],"forecasts":[25],"as":[26,28,122,208],"well":[27],"ligand":[29],"similarities":[30],"or":[31,38,260],"docking":[32],"scores.":[33],"However,":[34],"searching,":[36],"with":[37,111,289,327],"without":[39],"forecasts,":[41],"is":[42,58,119,240],"currently":[43],"not":[44],"practical.":[45],"The":[46,167],"prevalent":[48],"and":[49,61,110,155,183,281],"reliable":[50],"source":[51],"predictions,":[54,137],"existing":[55],"3D-QSAR":[56,77,97],"approaches,":[57],"also":[59],"difficult":[60],"somewhat":[62],"subjective.":[63],"Yet":[64],"in":[65,131],"25":[66,68,127,236,300],"trials":[69],"on":[70,73,99],"data":[71],"sets":[72],"which":[74],"a":[75,152,175,199,213,217,247,255,278,316],"field-based":[76],"treatment":[78],"had":[79],"already":[80],"succeeded,":[81],"substitution":[82],"objective":[84],"(canonically":[85],"generated)":[86],"topomer":[87,128,237],"poses":[88],"for":[89,212],"original":[91],"structure-guided":[92],"manual":[93],"alignments":[94],"produced":[95],"acceptable":[96],"models,":[98,109],"average":[100,124,169,321],"having":[101],"almost":[102,261],"equivalent":[103],"statistical":[104],"quality":[105],"to":[106,194,263,304],"published":[108],"negligible":[112],"effort.":[113],"Their":[114],"overall":[115],"prediction":[117,159,177],"error":[118],"0.805,":[120],"calculated":[121],"over":[125],"these":[126,299],"CoMFA":[129,238],"models":[130,239,301],"standard":[133],"deviations":[134],"derived":[138],"from":[139],"1109":[141],"possible":[142],"\"leave-out-one-R-group\"":[143],"(LOORG)":[144],"contributions.":[146],"(This":[147],"novel":[148],"LOORG":[149],"protocol":[150],"provides":[151],"more":[153],"realistic":[154],"stringent":[156],"test":[157],"accuracy":[160,178],"than":[161,221,338],"customary":[163],"\"leave-out-one-compound\"":[164],"LOO":[165],"approach.)":[166],"associated":[168],"predictive":[170],"r(2)":[171],"0.495":[173],"indicates":[174],"roughly":[179],"halfway":[180],"between":[181],"perfect":[182],"useless.":[184],"To":[185,265],"assess":[186],"ability":[188],"topomer-CoMFA":[190],"based":[191],"virtual":[192,268],"screening":[193,269],"identify":[195],"\"highly":[196,214,248,291],"active\"":[197,215,249,292],"R-groups,":[198],"Receiver":[200],"Operating":[201],"Curve":[202],"(ROC)":[203],"approach":[204],"was":[205],"adopted.":[206],"Using,":[207],"binary":[210],"criterion":[211],"R-group,":[216],"predicted":[218,330],"greater":[220,337],"top":[223],"25%":[224],"observed":[227],"range,":[229],"ROC":[231],"area":[232],"averaged":[233],"across":[234],"0.729.":[241],"Conventionally":[242],"interpreted,":[243],"odds":[245],"will":[251],"indeed":[252],"confer":[253],"such":[254],"high":[256],"0.729/(1-0.729)":[259],"3":[262],"1.":[264],"confirm":[266],"collections":[272],"realized":[274],"provide":[277],"useful":[279],"quantity":[280],"variety":[282],"suggestions,":[285],"combining":[286],"shape":[287],"similarity":[288],"pIC50,":[293],"50":[295],"searches":[296],"provided":[297],"by":[298],"were":[302],"applied":[303],"2.2":[305],"million":[306,313],"structurally":[307],"distinct":[308],"candidates":[310],"among":[311],"2.0":[312],"ZINC":[317],"database,":[318],"identifying":[319],"an":[320],"5705":[323],"per":[325],"search,":[326],"highest":[329,340],"combination":[332],"averaging":[333],"1.6":[334],"log":[335],"units":[336],"reported":[341],"pIC50s.":[342]},"counts_by_year":[],"updated_date":"2026-04-28T14:05:53.105641","created_date":"2016-06-24T00:00:00"}