{"id":"https://openalex.org/W1891790317","doi":"https://doi.org/10.1186/s13321-015-0097-z","title":"Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents","display_name":"Managing expectations: assessment of chemistry databases generated by automated extraction of chemical structures from patents","publication_year":2015,"publication_date":"2015-10-05","ids":{"openalex":"https://openalex.org/W1891790317","doi":"https://doi.org/10.1186/s13321-015-0097-z","mag":"1891790317","pmid":"https://pubmed.ncbi.nlm.nih.gov/26457120"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-015-0097-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0097-z","pdf_url":"https://link.springer.com/content/pdf/10.1186/s13321-015-0097-z.pdf","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/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://link.springer.com/content/pdf/10.1186/s13321-015-0097-z.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5041383929","display_name":"Stefan Senger","orcid":"https://orcid.org/0000-0002-7188-9607"},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I2800110054","display_name":"Age UK","ror":"https://ror.org/050x9d346","country_code":"GB","type":"nonprofit","lineage":["https://openalex.org/I2800110054"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Stefan Senger","raw_affiliation_strings":["GlaxoSmithKline, Stevenage, Hertfordshire SG1 2NY UK","GlaxoSmithKline, Stevenage, UK;"],"raw_orcid":"https://orcid.org/0000-0002-7188-9607","affiliations":[{"raw_affiliation_string":"GlaxoSmithKline, Stevenage, Hertfordshire SG1 2NY UK","institution_ids":["https://openalex.org/I188950975","https://openalex.org/I2800110054"]},{"raw_affiliation_string":"GlaxoSmithKline, Stevenage, UK;","institution_ids":["https://openalex.org/I188950975","https://openalex.org/I2800110054"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089484666","display_name":"Luca Bartek","orcid":null},"institutions":[{"id":"https://openalex.org/I188950975","display_name":"GlaxoSmithKline (United Kingdom)","ror":"https://ror.org/01xsqw823","country_code":"GB","type":"company","lineage":["https://openalex.org/I188950975"]},{"id":"https://openalex.org/I2800110054","display_name":"Age UK","ror":"https://ror.org/050x9d346","country_code":"GB","type":"nonprofit","lineage":["https://openalex.org/I2800110054"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Luca Bartek","raw_affiliation_strings":["GlaxoSmithKline, Stevenage, Hertfordshire SG1 2NY UK","GlaxoSmithKline, Stevenage, UK;"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"GlaxoSmithKline, Stevenage, Hertfordshire SG1 2NY UK","institution_ids":["https://openalex.org/I188950975","https://openalex.org/I2800110054"]},{"raw_affiliation_string":"GlaxoSmithKline, Stevenage, UK;","institution_ids":["https://openalex.org/I188950975","https://openalex.org/I2800110054"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065497953","display_name":"George Papadatos","orcid":"https://orcid.org/0000-0002-8314-7061"},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]},{"id":"https://openalex.org/I87048295","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08","country_code":"GB","type":"nonprofit","lineage":["https://openalex.org/I87048295"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"George Papadatos","raw_affiliation_strings":["European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD UK","European Molecular Biology Laboratory, European Bioinformatics Institute, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD UK","institution_ids":["https://openalex.org/I1303153112"]},{"raw_affiliation_string":"European Molecular Biology Laboratory, European Bioinformatics Institute, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, UK","institution_ids":["https://openalex.org/I1303153112","https://openalex.org/I87048295"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5050930900","display_name":"Anna Gaulton","orcid":"https://orcid.org/0000-0003-2634-7400"},"institutions":[{"id":"https://openalex.org/I1303153112","display_name":"European Bioinformatics Institute","ror":"https://ror.org/02catss52","country_code":"GB","type":"facility","lineage":["https://openalex.org/I1303153112","https://openalex.org/I4210138560"]},{"id":"https://openalex.org/I87048295","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08","country_code":"GB","type":"nonprofit","lineage":["https://openalex.org/I87048295"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Anna Gaulton","raw_affiliation_strings":["European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD UK","European Molecular Biology Laboratory, European Bioinformatics Institute, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"European Molecular Biology Laboratory - European Bioinformatics Institute (EMBL-EBI), Wellcome Trust Genome Campus, Hinxton, Cambridge CB10 1SD UK","institution_ids":["https://openalex.org/I1303153112"]},{"raw_affiliation_string":"European Molecular Biology Laboratory, European Bioinformatics Institute, EMBL-EBI, Wellcome Trust Genome Campus, Hinxton, UK","institution_ids":["https://openalex.org/I1303153112","https://openalex.org/I87048295"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5041383929","https://openalex.org/A5050930900","https://openalex.org/A5065497953","https://openalex.org/A5089484666"],"corresponding_institution_ids":["https://openalex.org/I1303153112","https://openalex.org/I188950975","https://openalex.org/I2800110054","https://openalex.org/I87048295"],"apc_list":{"value":2390,"currency":"USD","value_usd":2390},"apc_paid":{"value":2390,"currency":"USD","value_usd":2390},"fwci":1.3389,"has_fulltext":true,"cited_by_count":32,"citation_normalized_percentile":{"value":0.81640297,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"7","issue":"1","first_page":"49","last_page":"49"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.6855000257492065,"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":0.6855000257492065,"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/T11710","display_name":"Biomedical Text Mining and Ontologies","score":0.06719999760389328,"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/T10856","display_name":"Intellectual Property and Patents","score":0.06109999865293503,"subfield":{"id":"https://openalex.org/subfields/1405","display_name":"Management of Technology and Innovation"},"field":{"id":"https://openalex.org/fields/14","display_name":"Business, Management and Accounting"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/ibm","display_name":"IBM","score":0.7907267212867737},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.7084873914718628},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6811334490776062},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.5440995693206787},{"id":"https://openalex.org/keywords/chemical-database","display_name":"Chemical database","score":0.513221025466919},{"id":"https://openalex.org/keywords/intellectual-property","display_name":"Intellectual property","score":0.45426079630851746},{"id":"https://openalex.org/keywords/point","display_name":"Point (geometry)","score":0.4333692193031311},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.41741642355918884},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3270091712474823},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.2709224820137024},{"id":"https://openalex.org/keywords/nanotechnology","display_name":"Nanotechnology","score":0.12146991491317749},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.09550991654396057}],"concepts":[{"id":"https://openalex.org/C70388272","wikidata":"https://www.wikidata.org/wiki/Q5968558","display_name":"IBM","level":2,"score":0.7907267212867737},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.7084873914718628},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6811334490776062},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.5440995693206787},{"id":"https://openalex.org/C203394866","wikidata":"https://www.wikidata.org/wiki/Q2881060","display_name":"Chemical database","level":2,"score":0.513221025466919},{"id":"https://openalex.org/C34974158","wikidata":"https://www.wikidata.org/wiki/Q131257","display_name":"Intellectual property","level":2,"score":0.45426079630851746},{"id":"https://openalex.org/C28719098","wikidata":"https://www.wikidata.org/wiki/Q44946","display_name":"Point (geometry)","level":2,"score":0.4333692193031311},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.41741642355918884},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3270091712474823},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.2709224820137024},{"id":"https://openalex.org/C171250308","wikidata":"https://www.wikidata.org/wiki/Q11468","display_name":"Nanotechnology","level":1,"score":0.12146991491317749},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09550991654396057},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C192562407","wikidata":"https://www.wikidata.org/wiki/Q228736","display_name":"Materials science","level":0,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0},{"id":"https://openalex.org/C178790620","wikidata":"https://www.wikidata.org/wiki/Q11351","display_name":"Organic chemistry","level":1,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/s13321-015-0097-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0097-z","pdf_url":"https://link.springer.com/content/pdf/10.1186/s13321-015-0097-z.pdf","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/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:26457120","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/26457120","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":"Journal of cheminformatics","raw_type":"Journal Article"},{"id":"pmh:oai:europepmc.org:3575810","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/4594083","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"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":[],"type":"repository"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s13321-015-0097-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-015-0097-z","pdf_url":"https://link.springer.com/content/pdf/10.1186/s13321-015-0097-z.pdf","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/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Partnerships for the goals","id":"https://metadata.un.org/sdg/17","score":0.4300000071525574}],"awards":[{"id":"https://openalex.org/G1073258374","display_name":null,"funder_award_id":"FP7/20072013","funder_id":"https://openalex.org/F4320314178","funder_display_name":"European Federation of Pharmaceutical Industries and Associations"},{"id":"https://openalex.org/G119964413","display_name":null,"funder_award_id":"FP7/2007\u20132013","funder_id":"https://openalex.org/F4320311904","funder_display_name":"Wellcome Trust"},{"id":"https://openalex.org/G1499650114","display_name":"The ChEMBL Database An Open Resource for Drug Discovery","funder_award_id":"104104","funder_id":"https://openalex.org/F4320311904","funder_display_name":"Wellcome Trust"},{"id":"https://openalex.org/G1732308444","display_name":null,"funder_award_id":"FP7/2007\u20102013","funder_id":"https://openalex.org/F4320326631","funder_display_name":"Innovative Medicines Initiative"},{"id":"https://openalex.org/G2151716935","display_name":null,"funder_award_id":"115191","funder_id":"https://openalex.org/F4320326631","funder_display_name":"Innovative Medicines Initiative"},{"id":"https://openalex.org/G3207356259","display_name":null,"funder_award_id":"2007\u20132013","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G3771206209","display_name":"The ChEMBL Database An Open Resource for Drug Discovery","funder_award_id":"104104/A/14/Z","funder_id":"https://openalex.org/F4320311904","funder_display_name":"Wellcome Trust"},{"id":"https://openalex.org/G393177772","display_name":null,"funder_award_id":"FP7 2007-2013","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G4266869760","display_name":null,"funder_award_id":"Strategic Award WT 104104/Z/14/Z","funder_id":"https://openalex.org/F4320311904","funder_display_name":"Wellcome Trust"},{"id":"https://openalex.org/G5702163051","display_name":null,"funder_award_id":"FP7/2007","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G6456714180","display_name":"The Open Pharmacological Concepts Triple Store","funder_award_id":"115191","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"}],"funders":[{"id":"https://openalex.org/F4320311904","display_name":"Wellcome Trust","ror":"https://ror.org/029chgv08"},{"id":"https://openalex.org/F4320314178","display_name":"European Federation of Pharmaceutical Industries and Associations","ror":"https://ror.org/00g1x4v36"},{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320326631","display_name":"Innovative Medicines Initiative","ror":"https://ror.org/019af4n30"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W1891790317.pdf","grobid_xml":"https://content.openalex.org/works/W1891790317.grobid-xml"},"referenced_works_count":9,"referenced_works":["https://openalex.org/W316465782","https://openalex.org/W1508604947","https://openalex.org/W1601495365","https://openalex.org/W2013520570","https://openalex.org/W2015246402","https://openalex.org/W2023823374","https://openalex.org/W2071740125","https://openalex.org/W2080848531","https://openalex.org/W2129370330"],"related_works":["https://openalex.org/W3126131865","https://openalex.org/W4253186488","https://openalex.org/W2044344400","https://openalex.org/W1996938127","https://openalex.org/W2087762413","https://openalex.org/W2003932708","https://openalex.org/W4308221833","https://openalex.org/W1503231262","https://openalex.org/W4399582685","https://openalex.org/W2380667145"],"abstract_inverted_index":{"BACKGROUND:":[0],"First":[1],"public":[2],"disclosure":[3],"of":[4,19,27,52,58,63,123,131,169,198,209,225,243,262,264,268,287,295],"new":[5],"chemical":[6,59,124,177,228,296],"entities":[7],"often":[8],"takes":[9],"place":[10],"in":[11,145,148],"patents,":[12,132],"which":[13],"makes":[14],"them":[15],"an":[16,23],"important":[17],"source":[18],"information.":[20],"However,":[21],"with":[22,112,158],"ever":[24],"increasing":[25],"number":[26,62,242],"patent":[28,64,215,265],"applications,":[29],"manual":[30],"processing":[31],"and":[32,103,139,150,179,189,194,230,245,271],"curation":[33],"on":[34],"such":[35,98,318],"a":[36,129,167,239,273],"large":[37,50],"scale":[38],"becomes":[39],"even":[40],"more":[41,277,311,323],"challenging.":[42],"An":[43],"alternative":[44],"approach":[45,72],"better":[46],"suited":[47],"for":[48,166,250,276,291],"this":[49,94,156,269,307],"corpus":[51],"documents":[53],"is":[54,78,332],"the":[55,70,121,171,174,199,218,288,292],"automated":[56,293],"extraction":[57,294],"structures.":[60],"A":[61],"chemistry":[65,216,266],"databases":[66,172,267],"generated":[67,211],"by":[68,95],"using":[69,87,133],"latter":[71],"are":[73],"now":[74],"available":[75,100],"but":[76],"little":[77],"known":[79],"that":[80,237,310],"can":[81],"help":[82,258],"to":[83,92,234,259,313,316,328],"manage":[84,260],"expectations":[85,261],"when":[86],"them.":[88],"This":[89],"study":[90,308],"aims":[91],"address":[93],"comparing":[96],"two":[97],"freely":[99],"sources,":[101],"SureChEMBL":[102,149,188],"IBM":[104,151,190],"SIIP":[105,191],"(IBM":[106],"Strategic":[107],"Intellectual":[108],"Property":[109],"Insight":[110],"Platform),":[111],"manually":[113,213],"curated":[114,214],"commercial":[115],"databases.":[116],"RESULTS:":[117],"When":[118,154],"looking":[119],"at":[120],"percentage":[122],"structures":[125,178,297],"successfully":[126,220],"extracted":[127],"from":[128,203,298],"set":[130],"SciFinder":[134],"as":[135,160,281,283],"our":[136,146,207,251,254],"reference,":[137],"59":[138,195],"51":[140],"%":[141,224],"were":[142,248],"also":[143],"found":[144,192],"comparison":[147,157,208],"SIIP,":[152],"respectively.":[153],"performing":[155,306],"compounds":[159,170],"starting":[161],"point,":[162],"i.e.":[163],"establishing":[164],"if":[165],"list":[168],"provide":[173,272],"links":[175,226],"between":[176,227],"patents":[180,244],"they":[181],"appear":[182],"in,":[183],"we":[184,302],"obtained":[185,202],"similar":[186],"results.":[187],"62":[193],"%,":[196],"respectively,":[197],"compound-patent":[200,246],"pairs":[201,247],"Reaxys.":[204],"CONCLUSIONS:":[205],"In":[206],"automatically":[210],"vs.":[212],"databases,":[217],"former":[219],"provided":[221],"approximately":[222],"60":[223],"structure":[229],"patents.":[231,299],"It":[232],"needs":[233,312],"be":[235,314],"stressed":[236],"only":[238],"very":[240],"limited":[241],"used":[249,290],"comparison.":[252],"Nevertheless,":[253],"results":[255],"will":[256],"hopefully":[257],"users":[263],"type":[270],"useful":[274],"framework":[275],"studies":[278],"like":[279],"ours":[280],"well":[282],"guide":[284],"future":[285],"developments":[286],"workflows":[289],"The":[300],"challenges":[301],"have":[303],"encountered":[304],"whilst":[305],"highlight":[309],"done":[315],"make":[317],"assessments":[319],"easier.":[320],"Above":[321],"all,":[322],"adequate,":[324],"preferably":[325],"open":[326],"access":[327],"relevant":[329],"'gold":[330],"standards'":[331],"required.":[333]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":3},{"year":2023,"cited_by_count":4},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":7},{"year":2020,"cited_by_count":7},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":2}],"updated_date":"2026-08-24T07:32:12.397491","created_date":"2025-10-10T00:00:00"}