{"id":"https://openalex.org/W4225612076","doi":"https://doi.org/10.1093/bib/bbac197","title":"Bio-inspired chemical space exploration of terpenoids","display_name":"Bio-inspired chemical space exploration of terpenoids","publication_year":2022,"publication_date":"2022-04-29","ids":{"openalex":"https://openalex.org/W4225612076","doi":"https://doi.org/10.1093/bib/bbac197","pmid":"https://pubmed.ncbi.nlm.nih.gov/35576010"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbac197","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bib/bbac197","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/A5012066268","display_name":"Tao Zeng","orcid":"https://orcid.org/0000-0002-7630-425X"},"institutions":[{"id":"https://openalex.org/I157773358","display_name":"Sun Yat-sen University","ror":"https://ror.org/0064kty71","country_code":"CN","type":"education","lineage":["https://openalex.org/I157773358"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Tao Zeng","raw_affiliation_strings":["School of Pharmaceutical Sciences , Sun Yat-sen University, Guangzhou 510006, P.R. China"],"affiliations":[{"raw_affiliation_string":"School of Pharmaceutical Sciences , Sun Yat-sen University, Guangzhou 510006, P.R. China","institution_ids":["https://openalex.org/I157773358"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5015160180","display_name":"B. Andes Hess","orcid":"https://orcid.org/0000-0002-9854-6217"},"institutions":[{"id":"https://openalex.org/I200719446","display_name":"Vanderbilt University","ror":"https://ror.org/02vm5rt34","country_code":"US","type":"education","lineage":["https://openalex.org/I200719446"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Bernard Andes Hess, Jr.","raw_affiliation_strings":["Department of Chemistry, Vanderbilt University , Nashville, TN 37235 USA"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Vanderbilt University , Nashville, TN 37235 USA","institution_ids":["https://openalex.org/I200719446"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100403435","display_name":"Fan Zhang","orcid":"https://orcid.org/0000-0002-0953-7416"},"institutions":[{"id":"https://openalex.org/I157773358","display_name":"Sun Yat-sen University","ror":"https://ror.org/0064kty71","country_code":"CN","type":"education","lineage":["https://openalex.org/I157773358"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Fan Zhang","raw_affiliation_strings":["School of Pharmaceutical Sciences , Sun Yat-sen University, Guangzhou 510006, P.R. China"],"affiliations":[{"raw_affiliation_string":"School of Pharmaceutical Sciences , Sun Yat-sen University, Guangzhou 510006, P.R. China","institution_ids":["https://openalex.org/I157773358"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5103117279","display_name":"Ruibo Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I157773358","display_name":"Sun Yat-sen University","ror":"https://ror.org/0064kty71","country_code":"CN","type":"education","lineage":["https://openalex.org/I157773358"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Ruibo Wu","raw_affiliation_strings":["School of Pharmaceutical Sciences , Sun Yat-sen University, Guangzhou 510006, P.R. China"],"affiliations":[{"raw_affiliation_string":"School of Pharmaceutical Sciences , Sun Yat-sen University, Guangzhou 510006, P.R. China","institution_ids":["https://openalex.org/I157773358"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5103117279"],"corresponding_institution_ids":["https://openalex.org/I157773358"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":null,"fwci":0.6932,"has_fulltext":false,"cited_by_count":8,"citation_normalized_percentile":{"value":0.66132195,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":94,"max":97},"biblio":{"volume":"23","issue":"5","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11882","display_name":"Plant biochemistry and biosynthesis","score":0.9997000098228455,"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"}},"topics":[{"id":"https://openalex.org/T11882","display_name":"Plant biochemistry and biosynthesis","score":0.9997000098228455,"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/T10252","display_name":"Microbial Natural Products and Biosynthesis","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/2736","display_name":"Pharmacology"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9884999990463257,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.6560303568840027},{"id":"https://openalex.org/keywords/terpenoid","display_name":"Terpenoid","score":0.6212568283081055},{"id":"https://openalex.org/keywords/space","display_name":"Space (punctuation)","score":0.5886958837509155},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4757135510444641},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.426283597946167},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.3326556086540222},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2710709571838379},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.12663468718528748},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10284572839736938},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.09763577580451965}],"concepts":[{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.6560303568840027},{"id":"https://openalex.org/C206103511","wikidata":"https://www.wikidata.org/wiki/Q426694","display_name":"Terpenoid","level":2,"score":0.6212568283081055},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.5886958837509155},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4757135510444641},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.426283597946167},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3326556086540222},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2710709571838379},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.12663468718528748},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10284572839736938},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.09763577580451965},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013026","descriptor_name":"Space Flight","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013026","descriptor_name":"Space Flight","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013026","descriptor_name":"Space Flight","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D013729","descriptor_name":"Terpenes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013729","descriptor_name":"Terpenes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D013729","descriptor_name":"Terpenes","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1093/bib/bbac197","is_oa":false,"landing_page_url":"https://doi.org/10.1093/bib/bbac197","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:35576010","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/35576010","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":[],"awards":[{"id":"https://openalex.org/G2255234378","display_name":null,"funder_award_id":"21773313","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"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":73,"referenced_works":["https://openalex.org/W1575881208","https://openalex.org/W1972003304","https://openalex.org/W1991286793","https://openalex.org/W2001650913","https://openalex.org/W2006137883","https://openalex.org/W2017254234","https://openalex.org/W2043899565","https://openalex.org/W2060158210","https://openalex.org/W2060526630","https://openalex.org/W2074339458","https://openalex.org/W2075358818","https://openalex.org/W2081061641","https://openalex.org/W2089058416","https://openalex.org/W2170082200","https://openalex.org/W2318430920","https://openalex.org/W2327794513","https://openalex.org/W2344126488","https://openalex.org/W2345198528","https://openalex.org/W2504691963","https://openalex.org/W2518221522","https://openalex.org/W2529996553","https://openalex.org/W2547447472","https://openalex.org/W2578240541","https://openalex.org/W2587398640","https://openalex.org/W2611021352","https://openalex.org/W2739891962","https://openalex.org/W2750224419","https://openalex.org/W2750432728","https://openalex.org/W2755914284","https://openalex.org/W2770447879","https://openalex.org/W2785925809","https://openalex.org/W2806351858","https://openalex.org/W2807219935","https://openalex.org/W2889555425","https://openalex.org/W2905012389","https://openalex.org/W2911320144","https://openalex.org/W2911997094","https://openalex.org/W2912083425","https://openalex.org/W2912212024","https://openalex.org/W2913229698","https://openalex.org/W2913789599","https://openalex.org/W2915480215","https://openalex.org/W2916581152","https://openalex.org/W2932297636","https://openalex.org/W2947423323","https://openalex.org/W2947950688","https://openalex.org/W2963212250","https://openalex.org/W2967824457","https://openalex.org/W2992072991","https://openalex.org/W2997692303","https://openalex.org/W3008606298","https://openalex.org/W3011366455","https://openalex.org/W3011479555","https://openalex.org/W3015516943","https://openalex.org/W3022153309","https://openalex.org/W3030948478","https://openalex.org/W3038139620","https://openalex.org/W3088999551","https://openalex.org/W3090876102","https://openalex.org/W3103092523","https://openalex.org/W3112858573","https://openalex.org/W3118695441","https://openalex.org/W3119329252","https://openalex.org/W3183571318","https://openalex.org/W3195161349","https://openalex.org/W3198869316","https://openalex.org/W4200179152","https://openalex.org/W4230627164","https://openalex.org/W4242320552","https://openalex.org/W4295312788","https://openalex.org/W6634282434","https://openalex.org/W6732580896","https://openalex.org/W6766978945"],"related_works":["https://openalex.org/W2039535598","https://openalex.org/W2902857455","https://openalex.org/W2339166755","https://openalex.org/W2375574361","https://openalex.org/W3148214057","https://openalex.org/W4389619092","https://openalex.org/W4380204762","https://openalex.org/W4250223017","https://openalex.org/W4376122105","https://openalex.org/W2345388732"],"abstract_inverted_index":{"Many":[0],"computational":[1],"methods":[2],"are":[3,78,101,117],"devoted":[4],"to":[5,10,50,103],"rapidly":[6],"generating":[7],"pseudo-natural":[8],"products":[9],"expand":[11,129],"the":[12,22,52,98,130],"open-ended":[13],"border":[14],"of":[15,60,83,133,152],"chemical":[16,25,115,131,150],"spaces":[17],"for":[18,80,144],"natural":[19,62],"products.":[20],"However,":[21],"accessibility":[23,113],"and":[24,58,69,76,85,110,114,121,149,155],"interpretation":[26,116],"were":[27],"often":[28],"ignored":[29],"or":[30,35],"underestimated":[31],"in":[32,86,106],"conventional":[33],"library/fragment-based":[34],"rule-based":[36],"strategies,":[37],"thus":[38],"hampering":[39],"experimental":[40],"synthesis.":[41],"Herein,":[42],"a":[43,107],"bio-inspired":[44],"strategy":[45],"(named":[46],"TeroGen)":[47],"is":[48,142],"developed":[49],"mimic":[51],"two":[53],"key":[54],"biosynthetic":[55,139],"stages":[56],"(cyclization":[57],"decoration)":[59],"terpenoid":[61],"products,":[63],"by":[64,119],"utilizing":[65],"physically":[66],"based":[67],"simulations":[68],"deep":[70],"learning":[71],"models,":[72],"respectively.":[73],"The":[74],"precision":[75],"efficiency":[77],"validated":[79],"different":[81],"categories":[82],"terpenoids,":[84],"practice,":[87],"more":[88],"than":[89],"30":[90],"000":[91],"sesterterpenoids":[92],"(10":[93],"times":[94],"as":[95,97],"many":[96],"known":[99],"sesterterpenoids)":[100],"predicted":[102],"be":[104],"linked":[105],"reaction":[108],"network,":[109],"their":[111],"synthetic":[112],"estimated":[118],"thermodynamics":[120],"kinetics.":[122],"Since":[123],"it":[124],"could":[125],"not":[126],"only":[127],"greatly":[128],"space":[132],"terpenoids":[134,154],"but":[135],"also":[136],"numerate":[137],"plausible":[138],"routes,":[140],"TeroGen":[141],"promising":[143],"accelerating":[145],"heterologous":[146],"biosynthesis,":[147],"bio-mimic":[148],"synthesis":[151],"complicated":[153],"derivatives.":[156]},"counts_by_year":[{"year":2025,"cited_by_count":3},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":2}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}