{"id":"https://openalex.org/W2117987877","doi":"https://doi.org/10.1186/1758-2946-5-s1-o8","title":"Let's talk about rings","display_name":"Let's talk about rings","publication_year":2013,"publication_date":"2013-03-01","ids":{"openalex":"https://openalex.org/W2117987877","doi":"https://doi.org/10.1186/1758-2946-5-s1-o8","mag":"2117987877"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-5-s1-o8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-o8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O8","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"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O8","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5083205378","display_name":"Matthias Rarey","orcid":"https://orcid.org/0000-0002-9553-6531"},"institutions":[{"id":"https://openalex.org/I159176309","display_name":"Universit\u00e4t Hamburg","ror":"https://ror.org/00g30e956","country_code":"DE","type":"education","lineage":["https://openalex.org/I159176309"]},{"id":"https://openalex.org/I70451448","display_name":"HAW Hamburg","ror":"https://ror.org/00fkqwx76","country_code":"DE","type":"education","lineage":["https://openalex.org/I70451448"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Matthias Rarey","raw_affiliation_strings":["Center for Bioinformatics, University of Hamburg, Bundesstra\u00dfe 43, 20146, Hamburg, Germany","Center for Bioinformatics, University of Hamburg Hamburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Bioinformatics, University of Hamburg, Bundesstra\u00dfe 43, 20146, Hamburg, Germany","institution_ids":["https://openalex.org/I159176309"]},{"raw_affiliation_string":"Center for Bioinformatics, University of Hamburg Hamburg, Germany","institution_ids":["https://openalex.org/I159176309","https://openalex.org/I70451448"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084039570","display_name":"Adrian Kolodzik","orcid":null},"institutions":[{"id":"https://openalex.org/I159176309","display_name":"Universit\u00e4t Hamburg","ror":"https://ror.org/00g30e956","country_code":"DE","type":"education","lineage":["https://openalex.org/I159176309"]},{"id":"https://openalex.org/I70451448","display_name":"HAW Hamburg","ror":"https://ror.org/00fkqwx76","country_code":"DE","type":"education","lineage":["https://openalex.org/I70451448"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Adrian Kolodzik","raw_affiliation_strings":["Center for Bioinformatics, University of Hamburg, Bundesstra\u00dfe 43, 20146, Hamburg, Germany","Center for Bioinformatics, University of Hamburg Hamburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Bioinformatics, University of Hamburg, Bundesstra\u00dfe 43, 20146, Hamburg, Germany","institution_ids":["https://openalex.org/I159176309"]},{"raw_affiliation_string":"Center for Bioinformatics, University of Hamburg Hamburg, Germany","institution_ids":["https://openalex.org/I159176309","https://openalex.org/I70451448"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5075399884","display_name":"Sascha Urbaczek","orcid":null},"institutions":[{"id":"https://openalex.org/I159176309","display_name":"Universit\u00e4t Hamburg","ror":"https://ror.org/00g30e956","country_code":"DE","type":"education","lineage":["https://openalex.org/I159176309"]},{"id":"https://openalex.org/I70451448","display_name":"HAW Hamburg","ror":"https://ror.org/00fkqwx76","country_code":"DE","type":"education","lineage":["https://openalex.org/I70451448"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Sascha Urbaczek","raw_affiliation_strings":["Center for Bioinformatics, University of Hamburg, Bundesstra\u00dfe 43, 20146, Hamburg, Germany","Center for Bioinformatics, University of Hamburg Hamburg, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Center for Bioinformatics, University of Hamburg, Bundesstra\u00dfe 43, 20146, Hamburg, Germany","institution_ids":["https://openalex.org/I159176309"]},{"raw_affiliation_string":"Center for Bioinformatics, University of Hamburg Hamburg, Germany","institution_ids":["https://openalex.org/I159176309","https://openalex.org/I70451448"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.1443139,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"5","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"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":0.9993000030517578,"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/T13297","display_name":"History and advancements in chemistry","score":0.9746000170707703,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T12327","display_name":"Various Chemistry Research Topics","score":0.953000009059906,"subfield":{"id":"https://openalex.org/subfields/1606","display_name":"Physical and Theoretical Chemistry"},"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/cheminformatics","display_name":"Cheminformatics","score":0.8377419710159302},{"id":"https://openalex.org/keywords/ring","display_name":"Ring (chemistry)","score":0.8045226335525513},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.6206204891204834},{"id":"https://openalex.org/keywords/simple","display_name":"Simple (philosophy)","score":0.6075040102005005},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5665614604949951},{"id":"https://openalex.org/keywords/topology","display_name":"Topology (electrical circuits)","score":0.5220244526863098},{"id":"https://openalex.org/keywords/atom","display_name":"Atom (system on chip)","score":0.5101609230041504},{"id":"https://openalex.org/keywords/order","display_name":"Order (exchange)","score":0.4228513836860657},{"id":"https://openalex.org/keywords/discrete-mathematics","display_name":"Discrete mathematics","score":0.35116177797317505},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.3414212465286255},{"id":"https://openalex.org/keywords/combinatorics","display_name":"Combinatorics","score":0.26534324884414673},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.2454001009464264},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.1497543752193451},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.0716809630393982}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.8377419710159302},{"id":"https://openalex.org/C2780378348","wikidata":"https://www.wikidata.org/wiki/Q25351438","display_name":"Ring (chemistry)","level":2,"score":0.8045226335525513},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.6206204891204834},{"id":"https://openalex.org/C2780586882","wikidata":"https://www.wikidata.org/wiki/Q7520643","display_name":"Simple (philosophy)","level":2,"score":0.6075040102005005},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5665614604949951},{"id":"https://openalex.org/C184720557","wikidata":"https://www.wikidata.org/wiki/Q7825049","display_name":"Topology (electrical circuits)","level":2,"score":0.5220244526863098},{"id":"https://openalex.org/C58312451","wikidata":"https://www.wikidata.org/wiki/Q4817200","display_name":"Atom (system on chip)","level":2,"score":0.5101609230041504},{"id":"https://openalex.org/C182306322","wikidata":"https://www.wikidata.org/wiki/Q1779371","display_name":"Order (exchange)","level":2,"score":0.4228513836860657},{"id":"https://openalex.org/C118615104","wikidata":"https://www.wikidata.org/wiki/Q121416","display_name":"Discrete mathematics","level":1,"score":0.35116177797317505},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.3414212465286255},{"id":"https://openalex.org/C114614502","wikidata":"https://www.wikidata.org/wiki/Q76592","display_name":"Combinatorics","level":1,"score":0.26534324884414673},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.2454001009464264},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1497543752193451},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0716809630393982},{"id":"https://openalex.org/C10138342","wikidata":"https://www.wikidata.org/wiki/Q43015","display_name":"Finance","level":1,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"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/C149635348","wikidata":"https://www.wikidata.org/wiki/Q193040","display_name":"Embedded system","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"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":2,"locations":[{"id":"doi:10.1186/1758-2946-5-s1-o8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-o8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O8","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":"pmh:oai:europepmc.org:2605460","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3606176","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:10.1186/1758-2946-5-s1-o8","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-o8","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/1758-2946-5-S1-O8","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":[],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2117987877.pdf","grobid_xml":"https://content.openalex.org/works/W2117987877.grobid-xml"},"referenced_works_count":2,"referenced_works":["https://openalex.org/W2075307413","https://openalex.org/W2091223968"],"related_works":["https://openalex.org/W1573015311","https://openalex.org/W1570419641","https://openalex.org/W4386509167","https://openalex.org/W2889938001","https://openalex.org/W4293771607","https://openalex.org/W3165034028","https://openalex.org/W2296499206","https://openalex.org/W3210319767","https://openalex.org/W132037564","https://openalex.org/W4246770172"],"abstract_inverted_index":{"Defining":[0],"the":[1,9,42,66,74,104,135,162,192,202,211],"ring":[2,43,142,146,169,177,184],"topology":[3,44],"of":[4,14,59,68,77,106,166,180,183,194,213],"a":[5,22,31,39,71,87,141,150,167,175,181],"molecule":[6,23],"belongs":[7],"to":[8],"central":[10],"and":[11,58,119,149],"elementary":[12],"problems":[13],"cheminformatics.":[15],"Questions":[16],"like":[17,103],"'How":[18],"many":[19,28],"rings":[20,29,79],"does":[21,50],"contain?'":[24],"or":[25],"'In":[26],"how":[27],"is":[30,94,187],"specific":[32],"atom":[33,54],"involved?'":[34],"are":[35,114],"based":[36],"on":[37,53],"such":[38],"definition.":[40],"Obviously,":[41],"must":[45],"be":[46],"unique,":[47],"i.e.":[48],"it":[49,93,155],"not":[51,95,117],"depend":[52],"order,":[55],"chemical":[56,164],"meaningful,":[57],"reasonable":[60],"size,":[61],"at":[62,134,188],"most":[63,189],"polynomial":[64,157],"in":[65,83,123,156,174,191],"number":[67,182,193],"atoms.":[69,195],"For":[70],"long":[72],"period,":[73],"smallest":[75,78],"set":[76,105],"(SSSR)":[80],"was":[81],"used":[82],"cheminformatics":[84],"applications":[85],"ignoring":[86],"very":[88],"critical":[89],"flaw,":[90],"namely":[91],"that":[92],"unique":[96,176],"even":[97],"for":[98,153],"simple":[99],"structures.":[100],"Other":[101],"definitions":[102],"relevant":[107],"cycles":[108],"heal":[109],"this":[110,197],"flaw;":[111],"however":[112],"they":[113],"sometimes":[115],"chemically":[116],"meaningful":[118],"can":[120],"become":[121],"exponential":[122],"size.":[124],"Among":[125],"all":[126,131],"attempts":[127],"made,":[128],"none":[129],"fulfils":[130],"three":[132],"criteria":[133],"same":[136],"time":[137,158],"[1].\r\n\r\nRecently,":[138],"we":[139,199],"developed":[140],"definition":[143,172],"named":[144],"'unique":[145],"family'":[147],"(URF)":[148],"corresponding":[151],"algorithm":[152],"calculating":[154],"[2].":[159],"URFs":[160],"match":[161],"common":[163],"sense":[165],"molecule's":[168],"topology.":[170],"The":[171],"results":[173],"description":[178],"consisting":[179],"prototypes":[185],"which":[186],"quadratic":[190],"In":[196],"talk,":[198],"will":[200],"present":[201],"algorithm,":[203],"benchmarks":[204],"as":[205,207],"well":[206],"several":[208],"examples":[209],"demonstrating":[210],"usefulness":[212],"URFs.":[214]},"counts_by_year":[],"updated_date":"2026-06-11T09:08:48.828518","created_date":"2025-10-10T00:00:00"}