乐胖代购免代理版

{"id":"https://openalex.org/W2063973304","doi":"https://doi.org/10.1186/1758-2946-6-s1-p27","title":"Hit series selection in noisy HTS data: clustering techniques, statistical tests and data visualisations","display_name":"Hit series selection in noisy HTS data: clustering techniques, statistical tests and data visualisations","publication_year":2014,"publication_date":"2014-03-01","ids":{"openalex":"https://openalex.org/W2063973304","doi":"https://doi.org/10.1186/1758-2946-6-s1-p27","mag":"2063973304","pmcid":"https://www.ncbi.nlm.nih.gov/pmc/articles/3980185"},"language":"en","primary_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-s1-p27","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-6-S1-P27","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/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"type":"article","type_crossref":"journal-article","indexed_in":["crossref"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-6-S1-P27","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5104534360","display_name":"Christoph M\u00fcller","orcid":"https://orcid.org/0000-0002-9979-3682"},"institutions":[],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Christoph M\u00fcller","raw_affiliation_strings":["Dotmatics Ltd, Windhill, UK"],"affiliations":[{"raw_affiliation_string":"Dotmatics Ltd, Windhill, UK","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5097007658","display_name":"Daniel Ormsby","orcid":null},"institutions":[],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Daniel Ormsby","raw_affiliation_strings":["Dotmatics Ltd, Windhill, UK"],"affiliations":[{"raw_affiliation_string":"Dotmatics Ltd, Windhill, UK","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5041251870","display_name":"Isabella Feierberg","orcid":null},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Isabella Feierberg","raw_affiliation_strings":["AstraZeneca AB, M\u00f6lndal, Sweden."],"affiliations":[{"raw_affiliation_string":"AstraZeneca AB, M\u00f6lndal, Sweden.","institution_ids":["https://openalex.org/I4210143795"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076975589","display_name":"Ola Engkvist","orcid":"https://orcid.org/0000-0003-4970-6461"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Ola Engkvist","raw_affiliation_strings":["AstraZeneca AB, M\u00f6lndal, Sweden."],"affiliations":[{"raw_affiliation_string":"AstraZeneca AB, M\u00f6lndal, Sweden.","institution_ids":["https://openalex.org/I4210143795"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5051401603","display_name":"Christian Tyrchan","orcid":"https://orcid.org/0000-0002-6470-984X"},"institutions":[{"id":"https://openalex.org/I4210143795","display_name":"AstraZeneca (Sweden)","ror":"https://ror.org/04wwrrg31","country_code":"SE","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210143795"]}],"countries":["SE"],"is_corresponding":false,"raw_author_name":"Christian Tyrchan","raw_affiliation_strings":["AstraZeneca AB, M\u00f6lndal, Sweden."],"affiliations":[{"raw_affiliation_string":"AstraZeneca AB, M\u00f6lndal, Sweden.","institution_ids":["https://openalex.org/I4210143795"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5047506320","display_name":"Michael J. Hartshorn","orcid":null},"institutions":[],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Michael J Hartshorn","raw_affiliation_strings":["Dotmatics Ltd, Windhill, UK"],"affiliations":[{"raw_affiliation_string":"Dotmatics Ltd, Windhill, UK","institution_ids":[]}]}],"institution_assertions":[],"countries_distinct_count":2,"institutions_distinct_count":1,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582,"provenance":"doaj"},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582,"provenance":"doaj"},"fwci":0.0,"has_fulltext":true,"fulltext_origin":"ngrams","cited_by_count":0,"citation_normalized_percentile":{"value":0.0,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":0,"max":66},"biblio":{"volume":"6","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9999,"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":0.9999,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9895,"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/T10887","display_name":"Bioinformatics and Genomic Networks","score":0.9579,"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/cheminformatics","display_name":"Cheminformatics","score":0.8250177},{"id":"https://openalex.org/keywords/benchmarking","display_name":"Benchmarking","score":0.48232505}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.8250177},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8179781},{"id":"https://openalex.org/C177212765","wikidata":"https://www.wikidata.org/wiki/Q627335","display_name":"Workflow","level":2,"score":0.7587265},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.66175574},{"id":"https://openalex.org/C73555534","wikidata":"https://www.wikidata.org/wiki/Q622825","display_name":"Cluster analysis","level":2,"score":0.6606568},{"id":"https://openalex.org/C86251818","wikidata":"https://www.wikidata.org/wiki/Q816754","display_name":"Benchmarking","level":2,"score":0.48232505},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.44750297},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3845397},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.18116131},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.15162969},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C162853370","wikidata":"https://www.wikidata.org/wiki/Q39809","display_name":"Marketing","level":1,"score":0.0},{"id":"https://openalex.org/C144133560","wikidata":"https://www.wikidata.org/wiki/Q4830453","display_name":"Business","level":0,"score":0.0},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-s1-p27","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-6-S1-P27","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/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://europepmc.org/articles/pmc3980185","pdf_url":"https://europepmc.org/articles/pmc3980185?pdf=render","source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":true,"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":["European Bioinformatics Institute"],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},{"is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3980185","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":["National Institutes of Health"],"type":"repository"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true}],"best_oa_location":{"is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-6-s1-p27","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-6-S1-P27","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/P4310319965","https://openalex.org/P4310320256"],"host_organization_lineage_names":["Springer Nature","BioMed Central"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true},"sustainable_development_goals":[{"display_name":"Peace, justice, and strong institutions","id":"https://metadata.un.org/sdg/16","score":0.55}],"grants":[],"datasets":[],"versions":[],"referenced_works_count":4,"referenced_works":["https://openalex.org/W2022625706","https://openalex.org/W2098379297","https://openalex.org/W2156121510","https://openalex.org/W4247716526"],"related_works":["https://openalex.org/W435179959","https://openalex.org/W4238897586","https://openalex.org/W2619091065","https://openalex.org/W2409272344","https://openalex.org/W2291782699","https://openalex.org/W2284465472","https://openalex.org/W2059640416","https://openalex.org/W2011676020","https://openalex.org/W1993948687","https://openalex.org/W1490753184"],"abstract_inverted_index":{"High":[0],"throughput":[1],"screening":[2],"(HTS)":[3],"is":[4],"one":[5],"of":[6,16,78,106,111,118,141],"the":[7,13,54,73,86,115,142,150,174],"most":[8],"prominent":[9],"techniques":[10],"used":[11,30,80],"in":[12,34,61,81,100,128,146,171,212],"beginning":[14],"stages":[15],"a":[17,44,96,129,187],"drug":[18],"discovery":[19],"programme":[20],"to":[21,65,102,114,152,176,205,214],"identify":[22,154],"those":[23,104],"few":[24],"hit":[25,49,56,217],"compounds":[26,79,107,159],"that":[27,52,108],"can":[28],"be":[29],"as":[31,155,160],"starting":[32],"points":[33],"subsequent":[35],"studies":[36],"[1,2].":[37],"However,":[38],"an":[39,82],"HTS":[40,136,210],"experiment":[41],"often":[42],"entails":[43],"very":[45],"data-intensive":[46],"and":[47,75,91,166,196,219,226],"challenging":[48],"prioritization":[50],"process":[51,69],"yields":[53],"mentioned":[55],"compounds.":[57],"The":[58],"workflow":[59,87,122,181,211],"described":[60],"this":[62,67,147],"study":[63,131,148],"aims":[64],"make":[66],"decision-making":[68],"easier":[70],"by":[71],"combining":[72],"structural":[74],"biological":[76,116],"information":[77,192],"HTS.":[83],"In":[84],"particular,":[85],"combines":[88],"various":[89,126],"clustering":[90,167],"nearest":[92],"neighbourhood":[93],"schemes":[94,168],"with":[95,173],"non-parametric":[97],"statistical":[98],"test":[99],"order":[101,213],"prioritize":[103],"groupings":[105],"are":[109],"likely":[110],"being":[112],"relevant":[113],"target":[117],"interest":[119],"[3].\r\n\r\nThe":[120],"novel":[121],"was":[123,149,182],"evaluated":[124],"under":[125],"aspects":[127,145],"retrospective":[130],"using":[132,193],"publicly":[133],"available":[134],"quantitative":[135],"(qHTS)":[137],"datasets":[138],"[4].":[139],"One":[140],"main":[143],"benchmarking":[144],"ability":[151],"correctly":[153],"many":[156],"true":[157],"active":[158],"possible.":[161],"Therefore":[162],"different":[163],"chemical":[164,191],"descriptors":[165],"were":[169],"tested":[170],"combination":[172],"statistic":[175],"measure":[177],"their":[178,208],"classification":[179],"performance.\r\n\r\nThe":[180],"integrated":[183],"into":[184],"Dotmatics\u2019":[185],"Vortex,":[186],"platform":[188],"for":[189],"analysing":[190],"chemoinformatics":[194],"methods":[195],"data":[197],"visualisations":[198],"tools":[199],"[5].":[200],"This":[201],"integration":[202],"enables":[203],"researchers":[204],"easily":[206],"extend":[207],"current":[209],"discover":[215],"new":[216],"series":[218],"reveal":[220],"hidden":[221],"relationships":[222],"between":[223],"compounds,":[224],"scaffolds":[225],"clusters.":[227]},"cited_by_api_url":"https://api.openalex.org/works?filter=cites:W2063973304","counts_by_year":[],"updated_date":"2024-12-12T00:26:32.193847","created_date":"2016-06-24"}