{“id”:“https://openalex.org/W2904255552“,”doi“:”https://doi.org/10.1007/s10822-018-0181-3“,”title“:”带组合分析的主动学习策略:老狗的新技巧“,”display_name“:”带组合分析的主动学习策略:老狗的新技巧“,”publication_year“:2018,”publication_date“:”2018-12-18“,”ids“:{”openalex“:”https://openalex.org/W2904255552“,”doi“:”https://doi.org/10.1007/s10822-018-0181-3“,”mag“:”2904255552“,”pmid“:”https://pubmed.ncbi.nlm.nih.gov/30564994“,”pmcid“:”https://www.ncbi.nlm.nih.gov/pmc/articles/7087723“},”language“:”en“,”primary_location“:{”is_oa“:true,”landing_page_url“:”https://doi.org/10.1007/s10822-018-0181-3,“pdf_url”:https://link.springer.com/content/pdf/10.1007/s10822-018-0181-3.pdf,“源”:{“id”:https://openalex.org/S64621741“,”display_name“:”计算机辅助分子设计杂志“,”issn_l“:”0920-654X“,”isn“:[”0920-6504X“、”1573-4951“],”is_oa“:false,”is-in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P4310318900“,”“host_organization_name”:“Springer Science+Business Media”,“host_organization_lineage”:[“https://openalex.org/P4310319965","https://openalex.org/P4310318900“],”host_organization_lineage_names“:[”Springer Nature“,”Springer-Science+Business Media“],“type”:“journal”},“license”:null,“licence_id”:nul,“version”:“publishedVersion”,“is_accepted”:true,“is_published”:true},”type“:“article”,“type_crossref”:”journal-article“,”indexed_in“:[“crossref”,“publimed”],“open_access”:{“is_oa”:true,“oa_stat”美国“:”铜牌“,”oaurl“:”https://link.springer.com/content/pdf/10.1007/s10822-018-0181-3.pdf“,”any_repository_has_fulltext“:true},”authorships“:[{”author_position“:”第一“,”作者“:{”id“:”https://openalex.org/A5064332138“,”display_name“:”Lucia Fusani“,”orcid“:null},”institutions“:[{”id“:”https://openalex.org/I2800110054“,”display_name“:”Age UK“,”ror“:”https://ror.org/050x9d346“,”“country_code”“:”GB“,”type“:”非营利性“,”世系“:[”https://openalex.org/I2800110054“]}],”countries“:[”GB“],”is_corresponding“:false,”raw_author_name“:”Lucia Fusani“,”raw _affiliation_strings“:【”Molecular Design UK.GSK Medicines Research Centre,Gunnels Wood Road,Stevenage,Hertfordshire,SG1 2NY,UK“】,”affiliations“:[{”raw _affiliation_string“:”Moleculer Design UK。英国赫特福德郡Stevenage Gunnels Wood路GSK药物研究中心,SG1 2NY“,“institution_ids”:[“https://openalex.org/I2800110054“]}]},{”author_position“:”last“,”author“:{”id“:”https://openalex.org/A5056460983“,”display_name“:”\u00c1lvaro Cort\u00e9s-Cabrera“,”orcid“:”https://orcid.org/0000-0003-4635-6267“},”机构“:[],”国家“:[”ES“],”is_corresponding“:true,”raw_author_name“:”Alvaro Cortes Cabrera“,”raw _ afiliation_strings“:[“数据科学和计算化学,Galchimia S.A.Severo Ochoa 2,Tres Cantos,28760,西班牙”],”从属关系“:[{”raw _affiliation_strong“:”Galchimisa S.A.数据科学与计算化学。Severo Ochoa 2,Tres Cantos,28760,西班牙https://openalex.org/A5056460983“],”corresponding_institution_ids“:[],”apc_list“:{”value“:2890,”currency“:”EUR“,”value_usd“:3690,”provenance“:”doaj“},”apc _payed“:null,”fwci“:1.197,”has_fulltext“:true,”fulltext_origin“:”ngrams“,”cited_by_count“:8,”citected_by_percentile_year“:{”min“:85,”max“:86},“biblio”:{“volume”:“33”,“问题”:“2”,“first_page”:“287”,“last_page”:“294”},“is_retracted“:false,”is_paratext“:fase,”primary_topic“:{”id“:”https://openalex.org/T10211“,”“display_name”:“药物发现中的计算方法”,“score”:0.9996,“subfield”:{“id”:“https://openalex.org/subfields/1703“,”display_name“:”计算理论与数学“},”字段“:{”id“:”https://openalex.org/fields/17“,”display_name“:”Computer Science“},”domain“:{”id“:”https://openalex.org/domains/3“,”display_name“:”物理科学“}},”主题“:[{”id“:”https://openalex.org/T10211“,”“display_name”:“药物发现中的计算方法”,“score”:0.9996,“subfield”:{“id”:“https://openalex.org/subfields/1703“,”display_name“:”计算理论与数学“},”字段“:{”id“:”https://openalex.org/fields/17“,”display_name“:”Computer Science“},”domain“:{”id“:”https://openalex.org/domains/3“,”display_name“:”物理科学“}},{”id“:”https://openalex.org/T10044“,”display_name“:”蛋白质结构预测与分析“,”score“:0.9925,”subfield“:{”id“:”https://openalex.org/subfields/1312“,”display_name“:”分子生物学“},”字段“:{”id“:”https://openalex.org/fields/13“,”“display_name”:“生物化学、遗传学和分子生物学”},“域”:{“id”:“https://openalex.org/domains/1“,”display_name“:”生命科学“}},{”id“:”https://openalex.org/T12072“,”“display_name”:“机器学习研究中的主动学习”,“score”:0.9816,“subfield”:{“id”:“https://openalex.org/subfields/s702“,”display_name“:”人工智能“},”字段“:{”id“:”https://openalex.org/fields/17“,”display_name“:”Computer Science“},”domain“:{”id“:”https://openalex.org/domains/3“,”display_name“:”Physical Sciences“}}],”keywords“:[{”id“:”https://openalex.org/keywords/active-learning网站“,”display_name“:”主动学习“,”score“:0.629045},{”id“:”https://openalex.org/keywords/semi-supervised-learning网站“,”display_name“:”半监督学习“,”score“:0.561576}],”concepts“:[{”id“:”https://openalex.org/C164126121,“wikidata”:https://www.wikidata.org/wiki/Q766383“,”display_name“:”数量结构\u2013活动关系“,”level“:2,”score“:0.68991226},{”id“:”https://openalex.org/C119857082,“wikidata”:https://www.wikidata.org/wiki/Q2539“,”display_name“:”机器学习“,”level“:1,”score“:0.5971253},{”id“:”https://openalex.org/C41008148,“wikidata”:https://www.wikidata.org/wiki/Q21198“,”display_name“:”计算机科学“,”level“:0,”score“:0.5882443},{”id“:”https://openalex.org/C177212765,“wikidata”:https://www.wikidata.org/wiki/Q627335“,”display_name“:”Workflow“,”level“:2,”score“:0.57103044},{”id“:”https://openalex.org/C185429906,“wikidata”:https://www.wikidata.org/wiki/Q1130160“,”display_name“:”Estimator“,”level“:2,”score“:0.55590546},{”id“:”https://openalex.org/C154945302,“wikidata”:https://www.wikidata.org/wiki/Q11660“,”display_name“:”人工智能“,”level“:1,”score“:0.5295818},{”id“:”https://openalex.org/C77967617,“wikidata”:https://www.wikidata.org/wiki/Q4677561“,”display_name“:”主动学习(机器学习)“,”level“:2,”score“:0.5231974},{”id“:”https://openalex.org/C177264268,“wikidata”:https://www.wikidata.org/wiki/Q1514741“,”display_name“:”Set(abstract data type)“,”level“:2,”score“:0.51543033},{”id“:”https://openalex.org/C81917197,“wikidata”:https://www.wikidata.org/wiki/Q628760“,”display_name“:”Selection(genetic algorithm)“,”level“:2,”score“:0.48202837},{”id“:”https://openalex.org/C169258074,“wikidata”:https://www.wikidata.org/wiki/Q245748“,”display_name“:”随机林“,”level“:2,”score“:0.44563743},{”id“:”https://openalex.org/C144555111,“wikidata”:https://www.wikidata.org/wiki/Q2986279“,”display_name“:”主体(计算机安全)“,”级别“:2,”分数“:0.41951627},{”id“:”https://openalex.org/C33923547,“wikidata”:https://www.wikidata.org/wiki/Q395“,”display_name“:”数学“,”等级“:0,”分数“:0.15542766},{”id“:”https://openalex.org/C105795698,“wikidata”:https://www.wikidata.org/wiki/Q12483“,”display_name“:”Statistics“,”level“:1,”score“:0.091502905},{”id“:”https://openalex.org/C77088390,“wikidata”:https://www.wikidata.org/wiki/Q8513“,”display_name“:”数据库“,”级别“:1,”分数“:0.0},{”id“:”https://openalex.org/C199360897,“wikidata”:https://www.wikidata.org/wiki/Q9143“,”display_name“:”编程语言“,”level“:1,”score“:0.0},{”id“:”https://openalex.org/C111919701,“wikidata”:https://www.wikidata.org/wiki/Q9135“,”display_name“:”操作系统“,”level“:1,”score“:0.0}],”mesh“:[{”descriptor_ui“:”D018797“,”描述符名称“:”细胞周期蛋白质“,”qualifier_ui”:“Q000037”,“qualifier _name”:“拮抗剂和抑制剂”,“is_major_topic”:true},{”描述符名称化学“,”is_major_topic“:true},{”描述符_ui“:”D017239“,”描述符_name“:”紫杉醇“,”限定符_ui”:“Q000031”,“限定符_name”:“类似物和衍生物”,“is_major_topic”:真},}”描述符_ ui“,”descriptor_name“:”紫杉素“,”qualifier_ui D021281“,”描述符名称“:”定量结构-活动关系“,”限定符_ui“:”“,”qualifier_name“:null,”is_major_topic“:true},{“描述符_ui”:“D014157”,“描述符名称”:“转录因子”,“限定符_ui”:“Q000037”,“qualifier _name”:“拮抗剂和抑制剂”,“is_mayor_topic:true}”,{细胞周期蛋白质“,”限定符_ui“:”“,”qualifier_name“:null,”is_major_topic“:false},{”descriptor_ui”:“D018797”,“descriptor_name”:“细胞周期蛋白质”,“qualifier _ui(限定符_ ui):“Q000737”,“限定符_ name”:“chemistry”,“is_mayor _topic”:false},}”描述符_ui:“D062126”,“描述符名称”:“数据库,化学”,“qualifier _ ui”is_major_topic“:false},{“描述符_ui”:“D030562”,“描述符名称”:“数据库,蛋白质”,“限定符_ui“:”,“限制符名称”:null,“is_mayor_topical”:false},}“描述符_ ui”:“D016333”,“说明符名称”:“HIV蛋白酶”,“qualifier_ui(限定符名称):”,“”qualifier_ui“:”Q000737“,”qualifier _name“:”chemistry“,”is_major_topic“:false},{“描述符_ui”:“D017320”,“描述符_name”:“HIV蛋白酶抑制剂”,“限定符_ui(qualifier-ui):“”,“qualifier.name”:null,“is_mayor_topical”:false{“descriptor_ui用户界面“(_U):”D015394“,”描述符名称“:“分子结构”,”限定符_ui“:”“,”限定词名称“:null,”is_major_topic“:false},{”描述符名称”:“D017239”,”描述符姓名“:”紫杉醇“,”qualifier_ui”:“”,“限定符名称”:null、“is_mayor_topical”:false}、{”descriptor_ui:“D03816”,”descriptor名称“:”热力学“,”qualifier_name“:”null,“is_major_topic“:false},{“描述符_ui”:“D014157”,“描述符名称”:“转录因子”,“限定符_ui“:”,“修饰符名称”:null,“is_mayor_topical”:false},}“描述符_ ui”:“D01457”,“描述符名称”:“转录因子“,”限定符_ui“:”Q000737“,”qualifier_name“:”chemistry“,”is_mahor_topicle“:false},“描述符_ ui”:”D035501“,”描述符名称“”:“不确定性“,”限定符_ui“:”“,”限制符_name“:null,”is_major_topic“:false}],”locations_count“:4,”位置“:[{”is_oa“:true,”landing_page_url“:”https://doi.org/10.1007/s10822-018-0181-3,“pdf_url”:https://link.springer.com/content/pdf/10.1007/s10822-018-0181-3.pdf,“源”:{“id”:https://openalex.org/S64621741“,”display_name“:”计算机辅助分子设计杂志“,”issn_l“:”0920-654X“,”isn“:[”0920-6504X“、”1573-4951“],”is_oa“:false,”is-in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P4310318900“,”“host_organization_name”:“Springer Science+Business Media”,“host_organization_lineage”:[“https://openalex.org/P4310319965","https://openalex.org/P4310318900“],”host_organization_lineage_names“:[”Springer Nature“,”Springer-Science+Business Media“],“type”:“journal”},“license”:null,“licence_id”:nul,“version”:“publishedVersion”,“is_accepted”:true,“is_published”:true},{“is_oa”:true,“landing_page_url”:“https://europepmc.org/articles/pmc7087723,“pdf_url”:https://europepmc.org/articles/pmc7087723?pdf=render,“源”:{“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”:“欧洲生物信息学研究所”,“host_organization_lineage”:[“https://openalex.org/I1303153112“],”host_organization_lineage_names“:[”欧洲生物信息学研究所“],“type”:“repository”},“license”:“other-oa”,“licence_id”:“https://openalex.org/licenses/other-oa网站“,”version“:”publishedVersion“,”is_accepted“:true,”is_published“:true},{”is_oa“:true,”landing_page_url“:”https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7087723网址“,”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“:”美国国立卫生研究院“,”host_organization_lineage“:[”https://openalex.org/I1299303238“],”host_organization_lineage_names“:[”National Institutes of Health“],“type”:“repository”},“license”:null,“licence_id”:null,“version”:“publishedVersion”,“is_accepted”:true,“is_published”:true},{“is_oa”:false,“landing_page_url”:“https://pubmed.ncbi.nlm.nih.gov/30564994“,”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“:”美国国立卫生研究院“,”host_organization_lineage“:[”https://openalex.org/I1299303238“],”host_organization_lineage_names“:[”National Institutes of Health“],“type”:“repository”},“license”:null,“licence_id”:null,“version”:null,“is_accepted”:false,“is_published”:false}],“best_oa_location”:{“is_oa”:true,“landing_page_url”:“https://doi.org/10.1007/s10822-018-0181-3,“pdf_url”:https://link.springer.com/content/pdf/10.1007/s10822-018-0181-3.pdf,“源”:{“id”:https://openalex.org/S64621741“,”display_name“:”计算机辅助分子设计杂志“,”issn_l“:”0920-654X“,”isn“:[”0920-6504X“、”1573-4951“],”is_oa“:false,”is-in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P4310318900“,”“host_organization_name”:“Springer Science+Business Media”,“host_organization_lineage”:[“https://openalex.org/P4310319965","https://openalex.org/P4310318900“],”host_organization_lineage_names“:[”Springer Nature“,”Springer-Science+Business Media“],“type”:“journal”},“license”:null,“licence_id”:nul,“version”:“publishedVersion”,“is_accepted”:true,“is_published”:true},”sustainable_development_goals“:[{”score“:0.62,”display_name“:”健康与幸福“,”id“:”https://metadata.un.org/sdg/3“}],”grants“:[],”datasets“:[],”versions“:[】,”referenced_works_count“:33,”referrenced_works“:]”https://openalex.org/W1988195734","https://openalex.org/W1990964057","https://openalex.org/W1991238353","https://openalex.org/W1998168399","https://openalex.org/W1999798000","https://openalex.org/W2008212644","https://openalex.org/W2017043087","https://openalex.org/W2017844796","https://openalex.org/W2022024670","https://openalex.org/W2034339221","https://openalex.org/W2040086703","https://openalex.org/W2043990744","https://openalex.org/W2045683699","https://openalex.org/W2062764711","https://openalex.org/W2078715304","https://openalex.org/W2089107721","https://openalex.org/W2096796641","https://openalex.org/W2099988757","https://openalex.org/W2118080283","https://openalex.org/W2133123019","https://openalex.org/W2144182447","https://openalex.org/W2147993766","https://openalex.org/W2154504007","https://openalex.org/W2158066095","https://openalex.org/W2159672956","https://openalex.org/W2165618135","https://openalex.org/W2248130879","https://openalex.org/W2278921554","https://openalex.org/W2314991324","https://openalex.org/W2556851635","https://openalex.org/W2755053096","https://openalex.org/W278393147","https://openalex.org/W2786756830“],”related_works“:[”https://openalex.org/W3189652131","https://openalex.org/W2908740012","https://openalex.org/W2792066564","https://openalex.org/W2551736466","https://openalex.org/W2382340815","https://openalex.org/W1997566113","https://openalex.org/W1972650408","https://openalex.org/W1967793880","https://openalex.org/W1965106906","https://openalex.org/W1186905254“],”ngrams_url“:”https://api.openalex.org/works/W2904255552/ngrams网站“,”abstract_inverted_index“:{”The“:[0108134],”COMBINE“:[1],”method“:[2,21],”was“:[3],”designed“:[4],”to“:[5,33,45,69,87104],”study“:[6,34],”同源“:[7],”series“:[8],”of“:[9,14,28,43,67,77,95,99110141157173183],”compounds“:[10],”including“:[11],”structural“:[12],”information“:[13],”配体蛋白“:[15],”复合物“:[16],”尽管“:[17],“非常”:[18],“成功”:[19],“the”:[20,25,47,50,53,75,78,97102105111118142145155158],“has”:[22,81113],“not”:[23],“received”:[24],“same”:[26],“level”:[2],“attention”:[29],”than“:[30],“other”:[31],“alternatives”:[32],“Quantitatived”:[35],“Structure”:[36],“Active”:[37]58],“关系”:[38],“(QSAR)”:[39],“主要”:[40],“因为“:[41],”缺乏“:[42],”方式“:[44],”度量“:[46],”不确定性“:[48,68],”预测“:[51],”和“:[52101131147],”需要“:[54],”用于“:[55144],”大型“:[56],”数据集。“:[57],”学习“:[59],”a“:[60180],”半监督“:[61],”学会“:[62121],”方法“:[63],”that“:[64166],”makes“:[65],”use“:[66],”enhance“:[70],”models“:[71],”performance“:[72109],”while“:[73150],”reducing“:[74],”size“:[76],”training“:[79106],”set,“:[80],“been”82114],“已使用”:[83],“in”:[84123139154],“this”:[85],“work”:[86],“address“:[88],”both“:[89],”问题。“:[90],”我们“:[91],”提议“:[92],”两个“:[93],”估计量“:[94],”不确定性:“:[96],”池“:[98],”回归量“:[100],”距离“:[103],”集合。“:[107],“方法”:[112],“评估”:[115],“依据”:[116],“测试”:[117],“结果”:[119],“活性”:[120],“工作流”:[122],“3”:[124],“多样性”:[125],“数据集:”:[126],“HIV-1”:[127159],“蛋白酶”:[128160],“抑制剂”:[129149],“紫杉醇衍生物”:[130],“BRD4”:[132148],“抑制物”。“:[133],”提议“:[135],”策略“:[136],”是“:[137],”成功“:[138],”80%“:[140],”案例“:[143],”紫杉醇衍生物“:[146],”优于“:[151],”随机“:[152],”选择“:[153],”个案“:[156],”抑制剂“:[161],”时间分割。“:[162],“我们的”:[163],“结果”:[164],“建议”:[165],“AL-COMBINE”:[167],“可能”:[168],“是”:[169],“安”:[170],“有效”:[171],“方式”:[172],“生产”:[174],“一致”:[175],“优越”:[176],“QSAR”:/177],“型号”:[178],“有”:[179],“有限”:[181],“数量”:[182],“样本。“:[184]},”cited_by_api_url“:”https://api.openalex.org/works?filter=cites:W2904255552“,”counts_by_year“:[{”年“:2024,”cited_by_count“:2},{”年度“:2023,”cited_by_count”:1},“{”年份“:2021,”citecd_by_count“:3},”{“年份”:2020,“cited_by_counts”:1{,“年”:2019,“citecd_by_count:1}],”updated_date“:”2024-06-28T20:17:115.047306“,”created_date:“2018-12-22”}