{"id":"https://openalex.org/W2005818771","doi":"https://doi.org/10.1021/ci050044x","title":"Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions","display_name":"Retrospective Docking Study of PDE4B Ligands and an Analysis of the Behavior of Selected Scoring Functions","publication_year":2005,"publication_date":"2005-06-22","ids":{"openalex":"https://openalex.org/W2005818771","doi":"https://doi.org/10.1021/ci050044x","mag":"2005818771","pmid":"https://pubmed.ncbi.nlm.nih.gov/16045302"},"language":"en","primary_location":{"id":"doi:10.1021/ci050044x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci050044x","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/A5054370180","display_name":"Chidochangu P. Mpamhanga","orcid":null},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Chidochangu P. Mpamhanga","raw_affiliation_strings":["Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020099630","display_name":"Beining Chen","orcid":"https://orcid.org/0000-0003-4771-218X"},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Beining Chen","raw_affiliation_strings":["Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111719625","display_name":"Iain M. McLay","orcid":null},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Iain M. McLay","raw_affiliation_strings":["Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5000840521","display_name":"D.L. Ormsby","orcid":null},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Daniel L. Ormsby","raw_affiliation_strings":["Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026656308","display_name":"Mika Lindvall","orcid":"https://orcid.org/0000-0002-5637-8948"},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Mika K. Lindvall","raw_affiliation_strings":["Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Sheffield, Dainton Building, Brookhill, Sheffield S3 7HF, U.K., GlaxoSmithKline Medicines Research Centre, Computational and Structural Sciences, Stevenage, Hertfordshire SG1 2NY, U.K., and Accelrys Ltd., 334 Cambridge Science Park, Cambridge CB4 0WN, U.K","institution_ids":["https://openalex.org/I91136226"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5054370180"],"corresponding_institution_ids":["https://openalex.org/I91136226"],"apc_list":null,"apc_paid":null,"fwci":3.1622,"has_fulltext":false,"cited_by_count":19,"citation_normalized_percentile":{"value":0.91062826,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"45","issue":"4","first_page":"1061","last_page":"1074"},"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/T10274","display_name":"Synthesis and biological activity","score":0.9919999837875366,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic 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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9833999872207642,"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/docking","display_name":"Docking (animal)","score":0.5589726567268372},{"id":"https://openalex.org/keywords/dock","display_name":"DOCK","score":0.5573387742042542},{"id":"https://openalex.org/keywords/virtual-screening","display_name":"Virtual screening","score":0.44375649094581604},{"id":"https://openalex.org/keywords/random-forest","display_name":"Random forest","score":0.4164074659347534},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.40391260385513306},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.31991225481033325},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3095202147960663},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.20913901925086975},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.1336120069026947},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.11128363013267517}],"concepts":[{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5589726567268372},{"id":"https://openalex.org/C93073132","wikidata":"https://www.wikidata.org/wiki/Q24726581","display_name":"DOCK","level":2,"score":0.5573387742042542},{"id":"https://openalex.org/C103697762","wikidata":"https://www.wikidata.org/wiki/Q4112105","display_name":"Virtual screening","level":3,"score":0.44375649094581604},{"id":"https://openalex.org/C169258074","wikidata":"https://www.wikidata.org/wiki/Q245748","display_name":"Random forest","level":2,"score":0.4164074659347534},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.40391260385513306},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.31991225481033325},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3095202147960663},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.20913901925086975},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.1336120069026947},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.11128363013267517},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D005544","descriptor_name":"Forecasting","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005544","descriptor_name":"Forecasting","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D005544","descriptor_name":"Forecasting","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010726","descriptor_name":"Phosphodiesterase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010726","descriptor_name":"Phosphodiesterase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D010726","descriptor_name":"Phosphodiesterase Inhibitors","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012106","descriptor_name":"Research","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D012106","descriptor_name":"Research","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D012106","descriptor_name":"Research","qualifier_ui":"Q000706","qualifier_name":"statistics & numerical data","is_major_topic":false},{"descriptor_ui":"D012107","descriptor_name":"Research Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012107","descriptor_name":"Research Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012107","descriptor_name":"Research Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000037","qualifier_name":"antagonists & inhibitors","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D015105","descriptor_name":"3',5'-Cyclic-AMP Phosphodiesterases","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D054703","descriptor_name":"Cyclic Nucleotide Phosphodiesterases, Type 4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054703","descriptor_name":"Cyclic Nucleotide Phosphodiesterases, Type 4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D054703","descriptor_name":"Cyclic Nucleotide Phosphodiesterases, Type 4","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci050044x","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci050044x","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:16045302","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/16045302","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":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":33,"referenced_works":["https://openalex.org/W1507991774","https://openalex.org/W1509196567","https://openalex.org/W1513150088","https://openalex.org/W1531401772","https://openalex.org/W1596929908","https://openalex.org/W1969130197","https://openalex.org/W1970658820","https://openalex.org/W1972148009","https://openalex.org/W1977467384","https://openalex.org/W1983304433","https://openalex.org/W1985953075","https://openalex.org/W1988111902","https://openalex.org/W1990472384","https://openalex.org/W1994067196","https://openalex.org/W2003356525","https://openalex.org/W2011745290","https://openalex.org/W2035292911","https://openalex.org/W2040496005","https://openalex.org/W2050456292","https://openalex.org/W2052030759","https://openalex.org/W2060002448","https://openalex.org/W2067455153","https://openalex.org/W2071717945","https://openalex.org/W2074347389","https://openalex.org/W2077332797","https://openalex.org/W2081118632","https://openalex.org/W2091734240","https://openalex.org/W2111767148","https://openalex.org/W2114779636","https://openalex.org/W2120251111","https://openalex.org/W2139614856","https://openalex.org/W2158534713","https://openalex.org/W2208175234"],"related_works":["https://openalex.org/W2018989832","https://openalex.org/W2091429460","https://openalex.org/W2950791968","https://openalex.org/W2112101018","https://openalex.org/W2050992060","https://openalex.org/W4306658293","https://openalex.org/W2070405735","https://openalex.org/W3206488795","https://openalex.org/W2107506448","https://openalex.org/W2040496005"],"abstract_inverted_index":{"Scoring":[0],"forms":[1],"a":[2,47,53,58,68,78,95],"major":[3],"obstacle":[4],"to":[5,21,38,45,76,234,279],"the":[6,23,34,142,146,184,188,198,241,244,247,254,258,265,273,277,284],"success":[7,101,143],"of":[8,26,80,83,97,102,126,141,150,187,201,215,236,243,246,257,283],"any":[9],"docking":[10,72,259],"study.":[11],"In":[12,31],"general,":[13],"fast":[14,69],"scoring":[15,48,128,193,203,209,248,261],"functions":[16,129,204,249],"perform":[17],"poorly":[18],"when":[19],"used":[20,75],"determine":[22],"relative":[24],"affinity":[25],"ligands":[27,159],"for":[28,94,118,272,287],"their":[29],"receptors.":[30],"this":[32,65,107],"study,":[33],"objective":[35],"was":[36,74,109,136,194],"not":[37],"rank":[39],"compounds":[40,263],"with":[41,106,114,163,211],"confidence":[42],"but":[43],"simply":[44],"identify":[46],"method":[49],"which":[50,119],"could":[51],"provide":[52],"4-fold":[54],"hit":[55],"enrichment":[56,177],"in":[57,144,183,206,264],"screening":[59,291],"sample":[60],"over":[61],"random":[62],"selection.":[63],"To":[64],"end,":[66],"LigandFit,":[67],"shape":[70],"matching":[71],"algorithm,":[73],"dock":[77],"variety":[79],"known":[81,116],"inhibitors":[82,117,167],"type":[84],"4":[85,181],"phosphodiesterase":[86],"(PDE4B)":[87],"into":[88],"its":[89],"binding":[90,285],"site":[91,286],"determined":[92],"crystallographically":[93],"series":[96],"pyrazolopyridine":[98],"inhibitors.":[99],"The":[100,124],"identifying":[103],"good":[104,228],"poses":[105],"technique":[108],"explored":[110],"through":[111,139],"RMSD":[112],"comparisons":[113],"19":[115],"crystallographic":[120],"structures":[121],"were":[122],"available.":[123],"effectiveness":[125],"five":[127],"(PMF,":[130],"JAIN,":[131],"PLP2,":[132],"LigScore2,":[133],"and":[134,172,197,218,220,224,260],"DockScore)":[135],"then":[137,195],"evaluated":[138],"consideration":[140],"enriching":[145],"top":[147,185],"ranked":[148,189],"fractions":[149],"nine":[151],"artificial":[152],"databases,":[153],"constructed":[154],"by":[155],"seeding":[156],"1980":[157],"inactive":[158],"(pIC50":[160,168],"<":[161],"5)":[162],"20":[164],"randomly":[165],"selected":[166],">":[169],"6.5).":[170],"PMF":[171],"JAIN":[173],"showed":[174],"high":[175],"average":[176],"factors":[178],"(greater":[179],"than":[180],"times)":[182],"5-10%":[186],"databases.":[190],"Rank-based":[191],"consensus":[192],"investigated,":[196],"rational":[199],"combination":[200],"3":[202],"resulted":[205],"more":[207,288],"robust":[208],"schemes":[210],"(cScore)-DPmJ":[212],"(consensus":[213],"score":[214],"DockScore,":[216],"PMF,":[217,223],"JAIN)":[219,225],"(cScore)-PPmJ":[221],"(PLP2,":[222],"yielding":[226],"particularly":[227],"results.":[229],"These":[230],"cScores":[231],"are":[232],"believed":[233],"be":[235],"greater":[237],"general":[238],"application.":[239],"Finally,":[240],"analysis":[242],"behavior":[245],"across":[250],"different":[251],"chemotypes":[252],"uncovered":[253],"inherent":[255],"bias":[256],"toward":[262],"same":[266],"structural":[267],"family":[268],"as":[269],"that":[270],"employed":[271],"crystal":[274],"structure,":[275],"suggesting":[276],"need":[278],"use":[280],"multiple":[281],"versions":[282],"successful":[289],"virtual":[290],"strategies.":[292]},"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2013,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}