{"id":"https://openalex.org/W4299879774","doi":"https://doi.org/10.1093/bib/bbac418","title":"Predicting the structure of unexplored novel fentanyl analogues by deep learning model","display_name":"Predicting the structure of unexplored novel fentanyl analogues by deep learning model","publication_year":2022,"publication_date":"2022-10-01","ids":{"openalex":"https://openalex.org/W4299879774","doi":"https://doi.org/10.1093/bib/bbac418","pmid":"https://pubmed.ncbi.nlm.nih.gov/36184256"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbac418","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bib/bbac418","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","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/A5100768439","display_name":"Yuan Zhang","orcid":"https://orcid.org/0000-0003-2367-8132"},"institutions":[{"id":"https://openalex.org/I119454577","display_name":"Nanjing Agricultural University","ror":"https://ror.org/05td3s095","country_code":"CN","type":"education","lineage":["https://openalex.org/I119454577"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuan Zhang","raw_affiliation_strings":["Nanjing Agricultural University , China"],"affiliations":[{"raw_affiliation_string":"Nanjing Agricultural University , China","institution_ids":["https://openalex.org/I119454577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075294089","display_name":"Qiaoyan Jiang","orcid":null},"institutions":[{"id":"https://openalex.org/I83519826","display_name":"Nanjing Medical University","ror":"https://ror.org/059gcgy73","country_code":"CN","type":"education","lineage":["https://openalex.org/I83519826"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Qiaoyan Jiang","raw_affiliation_strings":["Nanjing Medical University , China"],"affiliations":[{"raw_affiliation_string":"Nanjing Medical University , China","institution_ids":["https://openalex.org/I83519826"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100435319","display_name":"Ling Li","orcid":"https://orcid.org/0000-0001-8725-1221"},"institutions":[{"id":"https://openalex.org/I4210114190","display_name":"Shanghai Zhangjiang Laboratory","ror":"https://ror.org/0208qbg77","country_code":"CN","type":"facility","lineage":["https://openalex.org/I4210114190"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ling Li","raw_affiliation_strings":["Zhijiang Laboratory , China"],"affiliations":[{"raw_affiliation_string":"Zhijiang Laboratory , China","institution_ids":["https://openalex.org/I4210114190"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014863730","display_name":"Zutan Li","orcid":null},"institutions":[{"id":"https://openalex.org/I119454577","display_name":"Nanjing Agricultural University","ror":"https://ror.org/05td3s095","country_code":"CN","type":"education","lineage":["https://openalex.org/I119454577"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zutan Li","raw_affiliation_strings":["Bioinformatics Doctoral Student at Nanjing Agricultural University , China"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Doctoral Student at Nanjing Agricultural University , China","institution_ids":["https://openalex.org/I119454577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002340366","display_name":"Zhihui Xu","orcid":null},"institutions":[{"id":"https://openalex.org/I4210096870","display_name":"Simcere Pharmaceutical (China)","ror":"https://ror.org/00t01w369","country_code":"CN","type":"company","lineage":["https://openalex.org/I4210096870"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhihui Xu","raw_affiliation_strings":["Researcher in Simcere Diagnostics Co., Ltd , China"],"affiliations":[{"raw_affiliation_string":"Researcher in Simcere Diagnostics Co., Ltd , China","institution_ids":["https://openalex.org/I4210096870"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100437877","display_name":"Yuanyuan Chen","orcid":"https://orcid.org/0000-0002-7953-1845"},"institutions":[{"id":"https://openalex.org/I119454577","display_name":"Nanjing Agricultural University","ror":"https://ror.org/05td3s095","country_code":"CN","type":"education","lineage":["https://openalex.org/I119454577"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yuanyuan Chen","raw_affiliation_strings":["College of Sciences at Nanjing Agricultural University , China"],"affiliations":[{"raw_affiliation_string":"College of Sciences at Nanjing Agricultural University , China","institution_ids":["https://openalex.org/I119454577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5042721774","display_name":"Yang Sun","orcid":"https://orcid.org/0000-0002-1747-3360"},"institutions":[{"id":"https://openalex.org/I83519826","display_name":"Nanjing Medical University","ror":"https://ror.org/059gcgy73","country_code":"CN","type":"education","lineage":["https://openalex.org/I83519826"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yang Sun","raw_affiliation_strings":["Nanjing Medical University , China"],"affiliations":[{"raw_affiliation_string":"Nanjing Medical University , China","institution_ids":["https://openalex.org/I83519826"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100384352","display_name":"Cheng Liu","orcid":"https://orcid.org/0009-0007-9288-8711"},"institutions":[{"id":"https://openalex.org/I83519826","display_name":"Nanjing Medical University","ror":"https://ror.org/059gcgy73","country_code":"CN","type":"education","lineage":["https://openalex.org/I83519826"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Cheng Liu","raw_affiliation_strings":["Department of Forensic Medicine, College of Basic Medical Science at Nanjing Medical University , China"],"affiliations":[{"raw_affiliation_string":"Department of Forensic Medicine, College of Basic Medical Science at Nanjing Medical University , China","institution_ids":["https://openalex.org/I83519826"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5083830451","display_name":"Zhengsheng Mao","orcid":"https://orcid.org/0000-0003-1341-6091"},"institutions":[{"id":"https://openalex.org/I83519826","display_name":"Nanjing Medical University","ror":"https://ror.org/059gcgy73","country_code":"CN","type":"education","lineage":["https://openalex.org/I83519826"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhengsheng Mao","raw_affiliation_strings":["Forensic Science Department at Nanjing Medical University , China"],"affiliations":[{"raw_affiliation_string":"Forensic Science Department at Nanjing Medical University , China","institution_ids":["https://openalex.org/I83519826"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100352749","display_name":"Feng Chen","orcid":"https://orcid.org/0000-0003-3508-8834"},"institutions":[{"id":"https://openalex.org/I83519826","display_name":"Nanjing Medical University","ror":"https://ror.org/059gcgy73","country_code":"CN","type":"education","lineage":["https://openalex.org/I83519826"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Feng Chen","raw_affiliation_strings":["Nanjing Medical University , China"],"affiliations":[{"raw_affiliation_string":"Nanjing Medical University , China","institution_ids":["https://openalex.org/I83519826"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5038452401","display_name":"Hualan Li","orcid":"https://orcid.org/0000-0001-6800-9309"},"institutions":[{"id":"https://openalex.org/I119454577","display_name":"Nanjing Agricultural University","ror":"https://ror.org/05td3s095","country_code":"CN","type":"education","lineage":["https://openalex.org/I119454577"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Hualan Li","raw_affiliation_strings":["Bioinformatics Master Student at Nanjing Agricultural University , China"],"affiliations":[{"raw_affiliation_string":"Bioinformatics Master Student at Nanjing Agricultural University , China","institution_ids":["https://openalex.org/I119454577"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5061151413","display_name":"Yue Cao","orcid":"https://orcid.org/0000-0002-0681-0069"},"institutions":[{"id":"https://openalex.org/I83519826","display_name":"Nanjing Medical University","ror":"https://ror.org/059gcgy73","country_code":"CN","type":"education","lineage":["https://openalex.org/I83519826"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yue Cao","raw_affiliation_strings":["Department of Forensic Medicine, Nanjing Medical University , Nanjing, Jiangsu, China"],"affiliations":[{"raw_affiliation_string":"Department of Forensic Medicine, Nanjing Medical University , Nanjing, Jiangsu, China","institution_ids":["https://openalex.org/I83519826"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5024796378","display_name":"Cong Pian","orcid":"https://orcid.org/0000-0001-7401-2926"},"institutions":[{"id":"https://openalex.org/I119454577","display_name":"Nanjing Agricultural University","ror":"https://ror.org/05td3s095","country_code":"CN","type":"education","lineage":["https://openalex.org/I119454577"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Cong Pian","raw_affiliation_strings":["College of Sciences, Nanjing Agricultural University , Nanjing, Jiangsu China"],"affiliations":[{"raw_affiliation_string":"College of Sciences, Nanjing Agricultural University , Nanjing, Jiangsu China","institution_ids":["https://openalex.org/I119454577"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":13,"corresponding_author_ids":["https://openalex.org/A5024796378","https://openalex.org/A5061151413"],"corresponding_institution_ids":["https://openalex.org/I119454577","https://openalex.org/I83519826"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":null,"fwci":1.4132,"has_fulltext":false,"cited_by_count":9,"citation_normalized_percentile":{"value":0.79077323,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":96,"max":99},"biblio":{"volume":"23","issue":"6","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10800","display_name":"Forensic Toxicology and Drug Analysis","score":0.9955999851226807,"subfield":{"id":"https://openalex.org/subfields/3005","display_name":"Toxicology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},"topics":[{"id":"https://openalex.org/T10800","display_name":"Forensic Toxicology and Drug Analysis","score":0.9955999851226807,"subfield":{"id":"https://openalex.org/subfields/3005","display_name":"Toxicology"},"field":{"id":"https://openalex.org/fields/30","display_name":"Pharmacology, Toxicology and Pharmaceutics"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9940999746322632,"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/T10683","display_name":"Mass Spectrometry Techniques and Applications","score":0.9868999719619751,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/fentanyl","display_name":"Fentanyl","score":0.9659241437911987},{"id":"https://openalex.org/keywords/molecule","display_name":"Molecule","score":0.4721541404724121},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.41731277108192444},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.3860602378845215},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.3531419038772583},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.34558284282684326},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.2708972692489624},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.24764400720596313},{"id":"https://openalex.org/keywords/organic-chemistry","display_name":"Organic chemistry","score":0.09660959243774414}],"concepts":[{"id":"https://openalex.org/C2781072394","wikidata":"https://www.wikidata.org/wiki/Q407541","display_name":"Fentanyl","level":2,"score":0.9659241437911987},{"id":"https://openalex.org/C32909587","wikidata":"https://www.wikidata.org/wiki/Q11369","display_name":"Molecule","level":2,"score":0.4721541404724121},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.41731277108192444},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.3860602378845215},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.3531419038772583},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.34558284282684326},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.2708972692489624},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.24764400720596313},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.09660959243774414}],"mesh":[{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000079803","descriptor_name":"Data Management","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000079803","descriptor_name":"Data Management","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000079803","descriptor_name":"Data Management","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000701","descriptor_name":"Analgesics, Opioid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000701","descriptor_name":"Analgesics, Opioid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000701","descriptor_name":"Analgesics, Opioid","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D005283","descriptor_name":"Fentanyl","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005283","descriptor_name":"Fentanyl","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D005283","descriptor_name":"Fentanyl","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bib/bbac418","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bib/bbac418","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:36184256","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/36184256","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":"Briefings in bioinformatics","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"display_name":"Good health and well-being","id":"https://metadata.un.org/sdg/3","score":0.6800000071525574}],"awards":[{"id":"https://openalex.org/G1198322678","display_name":null,"funder_award_id":"BK20201351","funder_id":"https://openalex.org/F4320322769","funder_display_name":"Natural Science Foundation of Jiangsu Province"},{"id":"https://openalex.org/G7049452176","display_name":null,"funder_award_id":"JCQY202108","funder_id":"https://openalex.org/F4320335787","funder_display_name":"Fundamental Research Funds for the Central Universities"},{"id":"https://openalex.org/G8168408027","display_name":null,"funder_award_id":"21904068","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322769","display_name":"Natural Science Foundation of Jiangsu Province","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320335787","display_name":"Fundamental Research Funds for the Central Universities","ror":null}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":44,"referenced_works":["https://openalex.org/W1918054832","https://openalex.org/W1959608418","https://openalex.org/W1975147762","https://openalex.org/W2034549041","https://openalex.org/W2058692916","https://openalex.org/W2060531713","https://openalex.org/W2064963922","https://openalex.org/W2066273100","https://openalex.org/W2096428003","https://openalex.org/W2122922252","https://openalex.org/W2160592148","https://openalex.org/W2523469089","https://openalex.org/W2529996553","https://openalex.org/W2578240541","https://openalex.org/W2604296437","https://openalex.org/W2618625858","https://openalex.org/W2769836604","https://openalex.org/W2806351858","https://openalex.org/W2895677720","https://openalex.org/W2900694120","https://openalex.org/W2901476322","https://openalex.org/W2925830236","https://openalex.org/W2947423323","https://openalex.org/W2947950688","https://openalex.org/W2964268978","https://openalex.org/W2989615256","https://openalex.org/W2991736596","https://openalex.org/W2992072991","https://openalex.org/W3011286504","https://openalex.org/W3030948478","https://openalex.org/W3042826782","https://openalex.org/W3094686696","https://openalex.org/W3103092523","https://openalex.org/W3116865743","https://openalex.org/W3164743754","https://openalex.org/W3209056694","https://openalex.org/W4212767742","https://openalex.org/W4289436753","https://openalex.org/W4297951436","https://openalex.org/W4320013936","https://openalex.org/W6640963894","https://openalex.org/W6736161267","https://openalex.org/W6738599175","https://openalex.org/W6746494662"],"related_works":["https://openalex.org/W4387497383","https://openalex.org/W2948807893","https://openalex.org/W2899084033","https://openalex.org/W2778153218","https://openalex.org/W2748952813","https://openalex.org/W1531601525","https://openalex.org/W4391375266","https://openalex.org/W2078814861","https://openalex.org/W2527526854","https://openalex.org/W1976181487"],"abstract_inverted_index":{"Fentanyl":[0],"and":[1,7,49,72,90,97,157,196],"its":[2],"analogues":[3,33,55,71,132,151,195],"are":[4,56,134,166],"psychoactive":[5],"substances":[6],"the":[8,19,43,47,59,74,125,147,175,179,183,190,200],"concern":[9],"of":[10,21,53,77,100,121,140,149,185,193,202],"fentanyl":[11,22,32,54,70,78,95,131,150,169,186,194],"abuse":[12],"has":[13],"been":[14],"existed":[15],"in":[16,58],"decades.":[17],"Because":[18],"structure":[20,44],"is":[23,40,63,174],"easy":[24],"to":[25,34,46,65,92,138,177,182],"be":[26],"modified,":[27],"criminals":[28],"may":[29],"synthesize":[30],"new":[31],"avoid":[35],"supervision.":[36],"The":[37,107,160],"drug":[38],"supervision":[39,201],"based":[41,145],"on":[42,146],"matching":[45],"database":[48],"too":[50],"few":[51],"kinds":[52],"included":[57],"database,":[60],"so":[61],"it":[62],"necessary":[64],"find":[66],"out":[67],"more":[68],"potential":[69,94,130],"expand":[73],"sample":[75],"space":[76,192],"analogues.":[79,170],"In":[80],"this":[81,172],"study,":[82],"we":[83,114],"introduced":[84],"two":[85],"deep":[86,180],"generative":[87],"models":[88],"(SeqGAN":[89],"MolGPT)":[91],"generate":[93,115],"analogues,":[96,187],"a":[98],"total":[99],"11":[101],"041":[102],"valid":[103],"molecules":[104,116,127,144,165],"were":[105,152],"obtained.":[106],"results":[108,161],"showed":[109],"that":[110,133,163],"not":[111,135],"only":[112],"can":[113],"with":[117],"similar":[118,137],"property":[119],"distribution":[120],"original":[122,141],"data,":[123],"but":[124],"generated":[126],"also":[128],"contain":[129],"pretty":[136],"any":[139],"data.":[142],"Ten":[143],"rules":[148],"selected":[153],"for":[154,199],"NMR,":[155],"MS":[156],"IR":[158],"validation.":[159],"indicated":[162],"these":[164],"all":[167],"unreported":[168],"Furthermore,":[171],"study":[173],"first":[176],"apply":[178],"learning":[181],"generation":[184],"greatly":[188],"expands":[189],"exploring":[191],"provides":[197],"help":[198],"fentanyl.":[203]},"counts_by_year":[{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":3}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
