{“id”:“https://openalex.org/W2939314313“,”doi“:”https://doi.org/10.1021/acs.jcim.8b00902“,”title“:“基于片段的长短期记忆生成神经网络的药物类似物”,“display_name”:“基于片断的长短期内存生成神经网络中的药物类似品”,“publication_year”:2019,“publiction_date”:“2019-03-25”,“ids”:{“openalex”:“https://openalex.org/W2939314313“,”doi“:”https://doi.org/10.1021/acs.jcim.8b00902“,”mag“:”2939314313“,”pmid“:”https://pubmed.ncbi.nlm.nih.gov/30908913“},”language“:”en“,”primary_location“:{”is_oa“:false,”landing_page_url“:”https://doi.org/10.1021/acs.jcim.8b00902“,”pdf_url“:null,”source“:{”id“:”https://openalex.org/S167262187“,”display_name“:”化学信息与建模杂志“,”issn_l“:”1549-9596“,”isn“:[”1549-95%“,”1549-960X“],”is_oa“:false,”is_in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P431032006“,”“host_organization_name”:“美国化学学会”,“host_ordanization_lineage”:[“https://openalex.org/P431032006“],”host_organization_lineage_names“:[”American Chemical Society“],“type”:“journal”},“license”:null,“licence_id”:null,“version”:nul,“is_accepted”:false,“is_published”:false},”type“:”article“,”type_crossref“:“jornal-article”,“indexed_in”:[”crossref“,”pubmed“],‘open_access”:{“is_oa”:true,“oa_status”:“green”,“oa_url”:“”https://doi.org/10.26434/chemrxiv.7277354.v2“,”any_repository_has_fulltext“:true},”authorships“:[{”author_position“:”第一“,”作者“:{”id“:”https://openalex.org/A5004141939“,”display_name“:”Mahendra Away“,”orcid“:”https://orcid.org/0000-0002-0611-6552“},”机构“:[{”id“:”https://openalex.org/I118564535“,”display_name“:”伯尔尼大学“,”ror“:”https://ror.org/02k7v4d05“,”country_code“:”CH“,”type“:“教育”,”世系“:[”https://openalex.org/I118564535“]}],”国家“:[”CH“],”is_corresponding“:false,”raw_author_name“:”Mahendra Awale“,”raw _affiliation_strings“:[“伯尔尼大学化学与生物化学系,瑞士伯尔尼3012,Freiestrasse 3”],”affiliations“:”伯尔尼大学化学与生物化学系,瑞士伯尔尼3012 Freiestrasse 3“,“institution_ids”:[“https://openalex.org/I118564535“]}]},{”author_position“:”middle“,”author“:{”id“:”https://openalex.org/A5044129967“,”display_name“:”Finton Sirockin“,”orcid“:”https://orcid.org/0000-0003-2536-7485“},”机构“:[{”id“:”https://openalex.org/I1283582996“,”display_name“:”诺华(瑞士)“,”ror“:”网址:https://ror.org/02f9zrr09“,”country_code“:”CH“,”type“:“公司”,”世系“:[”https://openalex.org/I1283582996“]}],”国家“:[”CH“],”is_corresponding“:false,”raw_author_name“:”Finton Sirockin“,”raw _ afiliation_strings“:[“诺华生物医学研究院,瑞士巴塞尔CH-4002”],”affiliations“:[{”raw _affiliation_string“:”瑞士巴塞尔CH-002,诺华生物医学研究院“,”institution_ids“:[https://openalex.org/I1283582996“]}]},{”author_position“:”middle“,”author“:{”id“:”https://openalex.org/A5057292715“,”display_name“:”Nikolaus Stiefl“,”orcid“:”https://orcid.org/0000-0003-2562-7080“},”机构“:[{”id“:”https://openalex.org/I1283582996“,”display_name“:”诺华(瑞士)“,”ror“:”https://ror.org/02f9zrr09“,”country_code“:”CH“,”type“:“公司”,”世系“:[”https://openalex.org/I1283582996“]}],”国家“:[”CH“],”is_corresponding“:false,”raw_author_name“:”Nikolaus Stiefl“,”raw _affiliation_strings“:[“诺华生物医学研究院,瑞士巴塞尔CH-4002”],”affiliations“:[{”raw _affiliation_string“:”瑞士巴塞尔CH-002诺华生物医学研究院“,”institution_ids“:[https://openalex.org/I1283582996“]}]},{”author_position“:”last“,”author“:{”id“:”https://openalex.org/A5040848839“,”display_name“:”Jean\u2010Louis Reymond“,”orcid“:”https://orcid.org/0000-0003-2724-2942“},”机构“:[{”id“:”https://openalex.org/I118564535“,”display_name“:”伯尔尼大学“,”ror“:”https://ror.org/02k7v4d05“,”country_code“:”CH“,”type“:“教育”,”世系“:[”https://openalex.org/I118564535“]}],”国家“:[”CH“],”is_corresponding“:true,”raw_author_name“:”Jean-Louis Reymond“,”raw _ afiliation_strings“:[“伯尔尼大学化学与生物化学系,瑞士伯尔尼3012 Freiestrasse 3”],”affiliations“:”伯尔尼大学化学与生物化学系,瑞士伯尔尼3012 Freiestrasse 3“,“institution_ids”:[“https://openalex.org/I118564535“]}]}],”countries_disticont_count“:1,”institutions_disticent_count”:2,”corresponding_author_ids“:[”https://openalex.org/A5040848839“],”对应的机构ID“:[”https://openalex.org/I118564535“],”apc_list“:null,”apc _ paid“:nul,”fwci“:7.394,”has_fulltext“:true,”fulltext_origin“:”ngrams“,”cited_by_count“:39,”cited_by_percentile_year“:{”min“:96,”max“:97},”biblio“:{“volume”:“59”,”issue“:”4“,”first_page“:”1347”,”last_page“:“1356”},“is_retracted”:false,”is_paratext“:false,“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/T1198“,”“display_name”:“通过信息学加速材料创新”,“score”:0.9947,“subfield”:{“id”:“https://openalex.org/subfields/2505“,”display_name“:”材料化学“},”字段“:{”id“:”https://openalex.org/fields/25“,”display_name“:”材料科学“},”域“:{”id“:”https://openalex.org/domains/3“,”display_name“:”物理科学“}},{”id“:”https://openalex.org/T10911“,”“display_name”:“肽合成与药物发现”,“score”:0.9936,“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“}}],”关键词“:[{”id“:”https://openalex.org/keywords/药物目标识别“,”display_name“:”药物靶点识别“,”score“:0.511649}],”concepts“:[{”id“:”https://openalex.org/C155261790,“wikidata”:https://www.wikidata.org/wiki/Q1122544“,”display_name“:”DrugBank“,”level“:3,”score“:0.8793432},{”id“:”https://openalex.org/C63222358,“wikidata”:https://www.wikidata.org/wiki/Q6120337“,”display_name“:”chEMBL“,”level“:3,”score“:0.870059},{”id“:”https://openalex.org/C41008148,“wikidata”:https://www.wikidata.org/wiki/Q21198“,”display_name“:”计算机科学“,”level“:0,”score“:0.7128569},{”id“:”https://openalex.org/C2776235265,“wikidata”:https://www.wikidata.org/wiki/Q18392052“,”display_name“:”Fragment(logic)“,”level“:2,”score“:0.62399304},{”id“:”https://openalex.org/C68762167,“wikidata”:https://www.wikidata.org/wiki/Q910164“,”display_name“:”化学信息学“,”level“:2,”score“:0.58504117},{”id“:”https://openalex.org/C154945302,“wikidata”:https://www.wikidata.org/wiki/Q11660“,”display_name“:”人工智能“,”level“:1,”score“:0.5342262},{”id“:”https://openalex.org/C39890363,“wikidata”:https://www.wikidata.org/wiki/Q36108“,”display_name“:”生成语法“,”level“:2,”score“:0.50866157},{”id“:”https://openalex.org/C167966045,“wikidata”:https://www.wikidata.org/wiki/Q5532625“,”display_name“:”生成模型“,”level“:3,”score“:0.46386236},{”id“:”https://openalex.org/C74187038,“wikidata”:https://www.wikidata.org/wiki/Q1418791“,”“display_name”“:”药物发现“,”级别“:2,”分数“:0.4553689},{”id“:”https://openalex.org/C50644808,“wikidata”:https://www.wikidata.org/wiki/Q192776“,”display_name“:”人工神经网络“,”level“:2,”score“:0.43949595},{”id“:”https://openalex.org/C119857082,“wikidata”:https://www.wikidata.org/wiki/Q2539“,”display_name“:”机器学习“,”level“:1,”score“:0.39648822},{”id“:”https://openalex.org/C2780035454,“wikidata”:https://www.wikidata.org/wiki/Q8386“,”display_name“:”Drug“,”level“:2,”score“:0.24877757},{”id“:”https://openalex.org/C199360897,“wikidata”:https://www.wikidata.org/wiki/Q9143“,”display_name“:”编程语言“,”level“:1,”score“:0.18867499},{”id“:”https://openalex.org/C60644358,“wikidata”:https://www.wikidata.org/wiki/Q128570“,”display_name“:”生物信息学“,”level“:1,”score“:0.17158762},{”id“:”https://openalex.org/C86803240,“wikidata”:https://www.wikidata.org/wiki/Q420“,”display_name“:”生物学“,”等级“:0,”分数“:0.09943679},{”id“:”https://openalex.org/C98274493,“wikidata”:https://www.wikidata.org/wiki/Q128406“,”display_name“:”药理学“,”level“:1,”score“:0.0}],”mesh“:[{”descriptor_ui“:”D000080911“,”描述符名称“:”化学信息学“,”qualifier_ui”:“Q000379”,“限定符名称”:“methods”,“is_major_topic”:true},{”descriptor_uri“:“D016571”,“descriptor_name”:“Neural Networks,Computer”,“qualifier _ui(限定符名称):”“,”限定符名称“:null,”is_major_topic“:true}”,{“descriptor_ui”:“D004364”,“descriptor_name”:“药物制剂”,“qualifier_ui”:“Q000737”,“qualifier_name”:“化学”,“is_major_topic”:true},{“descriptor_ui”:“D000080911”,“descriptor_name”:“化学信息学”,“qualifier_ui”:“”,“qualifier_name”:null,“is_major_topic”:false},{“descriptor_ui”:“D008958”,“descriptor_name”:“模型,分子”限定符_ui“:”“,”限定符_name“:null,”is_major_topic“:false},{“描述符_ui”:“D008968”,“描述符_name”:“分子构象”,“限定符_ui”:“”,“qualifier_name”:null,“is_mayor_topical”:false},}“描述符_ ui”:“D004364”,“descriptor_name”:“药物制剂”,“限制符_ui”:“locations_count“:4,”locations“:[{”is_oa“:false,”landing_page_url“:”https://doi.org/10.1021/acs.jcim.8b00902“,”pdf_url“:null,”source“:{”id“:”https://openalex.org/S167262187“,”display_name“:”化学信息与建模杂志“,”issn_l“:”1549-9596“,”isn“:[”1549-95%“,”1549-960X“],”is_oa“:false,”is_in_doaj“:false,”is_core“:true,”host_organization“:”https://openalex.org/P431032006“,”“host_organization_name”:“美国化学学会”,“host_ordanization_lineage”:[“https://openalex.org/P431032006“],”host_organization_lineage_names“:[”American Chemical Society“],“type”:“journal”},“license”:null,“licence_id”:null,“version”:null,“is_accepted”:false,“is_published”:false},{“is_oa”:true,“landing_page_url”:“https://doi.org/10.26434/chemrxiv.7277354.v2“,”pdf_url“:null,”source“:null,”license“:”cc-by-nc-nd“,”licence_id“:”https://openalex.org/licenses/cc-by-nc-nd“,”version“:”submittedVersion“,”is_accepted“:false,”is_published“:false},{”is_oa“:true,”landing_page_url“:”https://doi.org/10.26434/chemrxiv.7277354.v1,“pdf_url”:https://chemrxiv.org/engage/api-gateway/chemrxiv/assets/orp/resource/item/60c74076469df434c8f42c3f/original/drug-analogs-from-fragment-based-long-term-memory-generative-neural-networks.pdf“,”source“:null,”license“:”cc-by-nc-nd“,”licence_id“:”https://openalex.org/licenses/cc-by-nc-nd“,”version“:”submittedVersion“,”is_accepted“:false,”is_published“:false},{”is_oa“:false,”landing_page_url“:”https://pubmed.ncbi.nlm.nih.gov/30908913“,”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/10.26434/chemrxiv.7277354.v2“,”pdf_url“:null,”source“:null,”license“:”cc-by-nc-nd“,”licence_id“:”https://openalex.org/licenses/cc-by-nc-nd“,”version“:”submittedVersion“,”is_accepted“:false,”is_published“:false},”sustainable_development_goals“:[{”id“:”https://metadata.un.org/sdg/4“,”display_name“:”优质教育“,”score“:0.76}],”grants“:[{”资助者“:”https://openalex.org/F4320307778“,”funder_display_name“:”Novartis“,”award_id“:null}]“,”datasets“:[],”versions“:[],”referenced_works_count“:23,”referrenced_works“:[”https://openalex.org/W1975147762","https://openalex.org/W1975875968","https://openalex.org/W1981622697","https://openalex.org/W1984729946","https://openalex.org/W2008732224","https://openalex.org/W2018518196","https://openalex.org/W2060531713","https://openalex.org/W2064440950","https://openalex.org/W2076063813","https://openalex.org/W2092493635","https://openalex.org/W2114704115","https://openalex.org/W2160592148","https://openalex.org/W2578240541","https://openalex.org/W2596398464","https://openalex.org/W2604850519","https://openalex.org/W2610148085","https://openalex.org/W2766185799","https://openalex.org/W2784270883","https://openalex.org/W2792455800","https://openalex.org/W2886049025","https://openalex.org/W2891868449","https://openalex.org/W2905261310","https://openalex.org/W2963028280“],”related_works“:[”https://openalex.org/W4294024451","https://openalex.org/W4207063555","https://openalex.org/W2946902764","https://openalex.org/W2894906875","https://openalex.org/W2780675302","https://openalex.org/W2477626301","https://openalex.org/W2431109715","https://openalex.org/W2155958387","https://openalex.org/W2029912875","https://openalex.org/W1980425862“],”ngrams_url“:”https://api.openalex.org/works/W2939314313/ngrams(英文)“,”“abstract_inverted_index”:{“几个”:[0],“最近”:[1],“报告”:[2],“有”:[3],“显示”:[4],“那”:[5106137],“长”:[6],“短期”:[7],“内存”:[8],“生成”:[9],“神经”:[10],“网络”:[11],“(LSTM)”:[12],“的”:[13,31,58,82101112125],“the”:[14],类型“:[15],”used“:[16],”for“:[17144],”grammar“:[18],”learning“:[19,55,91],”高效“:[20],“学习”:[21],“到”:[22,85,92,97],“写”:[23],“简化”:[24],“分子”:[25],“输入”:[26],“行”:[27],“条目”:[28],“系统”:[29],“(SMILES)”:[30],“类药物”:[32],“化合物”:[33,43,57128],“时间”:[34],“训练”:[35,64],“与”:[36,56122],“SMILES“:[37],”来自“:[38,71,78],”a“:[39,93141],”数据库“:[40,81],”生物活性“:[42],”如“:[44],”如“:[45129131],”ChEMBL“:[46],”和“:[47,88114119],”可以“:[48],”稍后“:[49],”生产“:[50],”聚焦“:[51],”集合“:[52124],”在“:[53],”转移“:[54,90],”特异性“:[59],”生物活性“:[60],”简介。“:[61],“Here”:[62],“we”:[63],“an”:[65],“LSTM”:[66139],“using”:[67],“molecules”:[68],“taked”:[69],“oner”:[70],“ChEMBL,”:[72],“DrugBank,”:[83],“向上”:[84],“17”:[86],“原子)”:[87],“执行”:[89],“单个”:[94],“已知”:[95],“药物”:[96117],“获得“:[98],”新“:[99116145],”类似物“:[100118],”此“:[102107],”药物。“:[103],“我们”:[104],“发现”:[105],“方法”:[108],“容易”:[109],“生成”:[110],“数百”:[111],“相关”:[113],“多样”:[115],“作品”:[120],“最佳”:[121],“训练”:[123],“周围”:[126],“40000”:[127],“简单”:[130],“商业”:[132],“片段”。“:[133],”These“:[134],”data“:[135],”suggest“:[136],”fragment-based“:[138],”offer“:[140],”promise“:[142],”method“:%143],”molecular“:[146],”generation“。“:[147]},”cited_by_api_url“:”https://api.openalex.org/works?filter=cites:W2939314313“,”counts_by_year“:[{”year“:2024,”cited_by_count“:2},{”year“:2023,”cited_by_count”:4},}”year:2022,”citecd_by_count“:7},,{“year”:2021,”citted_by_count“:9},”year”:2020,”citesd_by-count“:12}、{”年“:2019,”ciped_by_cunt“:4}],”updated_dated“:”2024-06-26T13:56:50.298 473“,”创建日期“:”2019-04-25“}