{"id":"https://openalex.org/W2175596968","doi":"https://doi.org/10.3390/informatics2040050","title":"Storing the Wisdom: Chemical Concepts and Chemoinformatics","display_name":"Storing the Wisdom: Chemical Concepts and Chemoinformatics","publication_year":2015,"publication_date":"2015-11-20","ids":{"openalex":"https://openalex.org/W2175596968","doi":"https://doi.org/10.3390/informatics2040050","mag":"2175596968"},"language":"en","primary_location":{"id":"doi:10.3390/informatics2040050","is_oa":true,"landing_page_url":"https://doi.org/10.3390/informatics2040050","pdf_url":"https://www.mdpi.com/2227-9709/2/4/50/pdf?version=1448018013","source":{"id":"https://openalex.org/S2738238905","display_name":"Informatics","issn_l":"2227-9709","issn":["2227-9709"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Informatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","datacite","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2227-9709/2/4/50/pdf?version=1448018013","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5069220898","display_name":"David Bawden","orcid":"https://orcid.org/0000-0002-0478-6456"},"institutions":[{"id":"https://openalex.org/I180825142","display_name":"City, University of London","ror":"https://ror.org/04489at23","country_code":"GB","type":"education","lineage":["https://openalex.org/I124357947","https://openalex.org/I180825142"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"David Bawden","raw_affiliation_strings":["Centre for Information Science, City University London, London EC1V 0HB, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Centre for Information Science, City University London, London EC1V 0HB, UK","institution_ids":["https://openalex.org/I180825142"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":1,"corresponding_author_ids":["https://openalex.org/A5069220898"],"corresponding_institution_ids":["https://openalex.org/I180825142"],"apc_list":{"value":1600,"currency":"CHF","value_usd":1732},"apc_paid":{"value":1600,"currency":"CHF","value_usd":1732},"fwci":0.0,"has_fulltext":true,"cited_by_count":1,"citation_normalized_percentile":{"value":0.09265366,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"2","issue":"4","first_page":"50","last_page":"67"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9937000274658203,"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":0.9937000274658203,"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":0.9916999936103821,"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":0.9669543504714966},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.7385193705558777},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5584866404533386},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.5548838973045349},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.5513944625854492},{"id":"https://openalex.org/keywords/value","display_name":"Value (mathematics)","score":0.5369021892547607},{"id":"https://openalex.org/keywords/property-value","display_name":"Property value","score":0.44270285964012146},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.42770856618881226},{"id":"https://openalex.org/keywords/epistemology","display_name":"Epistemology","score":0.3748023211956024},{"id":"https://openalex.org/keywords/management-science","display_name":"Management science","score":0.3377867341041565},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.288657009601593},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.261479914188385},{"id":"https://openalex.org/keywords/computational-chemistry","display_name":"Computational chemistry","score":0.16005924344062805},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.1378573477268219},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.11271446943283081},{"id":"https://openalex.org/keywords/philosophy","display_name":"Philosophy","score":0.08053606748580933}],"concepts":[{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.9669543504714966},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.7385193705558777},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5584866404533386},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.5548838973045349},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.5513944625854492},{"id":"https://openalex.org/C2776291640","wikidata":"https://www.wikidata.org/wiki/Q2912517","display_name":"Value (mathematics)","level":2,"score":0.5369021892547607},{"id":"https://openalex.org/C2994228675","wikidata":"https://www.wikidata.org/wiki/Q512599","display_name":"Property value","level":3,"score":0.44270285964012146},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.42770856618881226},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.3748023211956024},{"id":"https://openalex.org/C539667460","wikidata":"https://www.wikidata.org/wiki/Q2414942","display_name":"Management science","level":1,"score":0.3377867341041565},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.288657009601593},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.261479914188385},{"id":"https://openalex.org/C147597530","wikidata":"https://www.wikidata.org/wiki/Q369472","display_name":"Computational chemistry","level":1,"score":0.16005924344062805},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.1378573477268219},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.11271446943283081},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.08053606748580933},{"id":"https://openalex.org/C115961682","wikidata":"https://www.wikidata.org/wiki/Q860623","display_name":"Image (mathematics)","level":2,"score":0.0},{"id":"https://openalex.org/C82279013","wikidata":"https://www.wikidata.org/wiki/Q684740","display_name":"Real estate","level":2,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.3390/informatics2040050","is_oa":true,"landing_page_url":"https://doi.org/10.3390/informatics2040050","pdf_url":"https://www.mdpi.com/2227-9709/2/4/50/pdf?version=1448018013","source":{"id":"https://openalex.org/S2738238905","display_name":"Informatics","issn_l":"2227-9709","issn":["2227-9709"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Informatics","raw_type":"journal-article"},{"id":"pmh:oai:openaccess.city.ac.uk:12986","is_oa":false,"landing_page_url":"https://openaccess.city.ac.uk/view/creators_id/d=2Ebawden.html>","pdf_url":null,"source":{"id":"https://openalex.org/S4306401940","display_name":"City Research Online (City University London)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I180825142","host_organization_name":"City, University of London","host_organization_lineage":["https://openalex.org/I180825142"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"PeerReviewed"},{"id":"pmh:oai:doaj.org/article:dfa58d923d5f4ad29eeb9c4cec2f009a","is_oa":true,"landing_page_url":"https://doaj.org/article/dfa58d923d5f4ad29eeb9c4cec2f009a","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Informatics, Vol 2, Iss 4, Pp 50-67 (2015)","raw_type":"article"},{"id":"pmh:oai:hcommons.org/hc:20237","is_oa":true,"landing_page_url":"http://dx.doi.org/10.17613/M6V698B7J","pdf_url":null,"source":{"id":"https://openalex.org/S4306402525","display_name":"Humanities Commons CORE (Modern Language Association / Columbia University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":""},{"id":"pmh:oai:mdpi.com:/2227-9709/2/4/50/","is_oa":true,"landing_page_url":"http://dx.doi.org/10.3390/informatics2040050","pdf_url":null,"source":{"id":"https://openalex.org/S4306400947","display_name":"MDPI (MDPI AG)","issn_l":null,"issn":null,"is_oa":true,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I4210097602","host_organization_name":"Multidisciplinary Digital Publishing Institute (Switzerland)","host_organization_lineage":["https://openalex.org/I4210097602"],"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":"Informatics","raw_type":"Text"},{"id":"doi:10.17613/m6v698b7j","is_oa":true,"landing_page_url":"https://doi.org/10.17613/m6v698b7j","pdf_url":null,"source":{"id":"https://openalex.org/S4306401541","display_name":"Knowledge Commons (Lakehead University)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I72541430","host_organization_name":"Lakehead University","host_organization_lineage":["https://openalex.org/I72541430"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.3390/informatics2040050","is_oa":true,"landing_page_url":"https://doi.org/10.3390/informatics2040050","pdf_url":"https://www.mdpi.com/2227-9709/2/4/50/pdf?version=1448018013","source":{"id":"https://openalex.org/S2738238905","display_name":"Informatics","issn_l":"2227-9709","issn":["2227-9709"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310310987","host_organization_name":"Multidisciplinary Digital Publishing Institute","host_organization_lineage":["https://openalex.org/P4310310987"],"host_organization_lineage_names":["Multidisciplinary Digital Publishing Institute"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Informatics","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.46000000834465027,"id":"https://metadata.un.org/sdg/4","display_name":"Quality Education"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2175596968.pdf","grobid_xml":"https://content.openalex.org/works/W2175596968.grobid-xml"},"referenced_works_count":91,"referenced_works":["https://openalex.org/W162633409","https://openalex.org/W396867671","https://openalex.org/W581598917","https://openalex.org/W600806092","https://openalex.org/W602897411","https://openalex.org/W610131642","https://openalex.org/W618043227","https://openalex.org/W623983397","https://openalex.org/W640136114","https://openalex.org/W652580683","https://openalex.org/W656709765","https://openalex.org/W1484522762","https://openalex.org/W1496369056","https://openalex.org/W1503526370","https://openalex.org/W1507129354","https://openalex.org/W1531524766","https://openalex.org/W1552102646","https://openalex.org/W1564771105","https://openalex.org/W1598320301","https://openalex.org/W1908851533","https://openalex.org/W1962756491","https://openalex.org/W1966173732","https://openalex.org/W1971756666","https://openalex.org/W1976165644","https://openalex.org/W1978729956","https://openalex.org/W1978941190","https://openalex.org/W1983283443","https://openalex.org/W1990451437","https://openalex.org/W1993310566","https://openalex.org/W1994413310","https://openalex.org/W2001827613","https://openalex.org/W2001873320","https://openalex.org/W2002727413","https://openalex.org/W2010621898","https://openalex.org/W2010861052","https://openalex.org/W2011269518","https://openalex.org/W2014442846","https://openalex.org/W2015790207","https://openalex.org/W2023182702","https://openalex.org/W2026617820","https://openalex.org/W2030967923","https://openalex.org/W2032842297","https://openalex.org/W2036680661","https://openalex.org/W2037934646","https://openalex.org/W2038071485","https://openalex.org/W2038148607","https://openalex.org/W2040103915","https://openalex.org/W2042925994","https://openalex.org/W2054678829","https://openalex.org/W2058879608","https://openalex.org/W2060290850","https://openalex.org/W2062601468","https://openalex.org/W2063380184","https://openalex.org/W2070951934","https://openalex.org/W2080066383","https://openalex.org/W2083385715","https://openalex.org/W2091109913","https://openalex.org/W2093135499","https://openalex.org/W2101180776","https://openalex.org/W2107790922","https://openalex.org/W2133880268","https://openalex.org/W2141613413","https://openalex.org/W2144329278","https://openalex.org/W2148398225","https://openalex.org/W2150319741","https://openalex.org/W2159226341","https://openalex.org/W2161041115","https://openalex.org/W2314626150","https://openalex.org/W2320034101","https://openalex.org/W2326892341","https://openalex.org/W2328708083","https://openalex.org/W2351488874","https://openalex.org/W2396490691","https://openalex.org/W2412446857","https://openalex.org/W2416147285","https://openalex.org/W2473812434","https://openalex.org/W2478940367","https://openalex.org/W2495700449","https://openalex.org/W2804429847","https://openalex.org/W2810640491","https://openalex.org/W2890852827","https://openalex.org/W3164135786","https://openalex.org/W4210326666","https://openalex.org/W4234435761","https://openalex.org/W4235653169","https://openalex.org/W4240773179","https://openalex.org/W4244776212","https://openalex.org/W4255928670","https://openalex.org/W4388331996","https://openalex.org/W6660087544","https://openalex.org/W6716421155"],"related_works":["https://openalex.org/W1573015311","https://openalex.org/W2889938001","https://openalex.org/W4386509167","https://openalex.org/W3165034028","https://openalex.org/W1570419641","https://openalex.org/W4293771607","https://openalex.org/W2558461359","https://openalex.org/W2131420021","https://openalex.org/W2999864927","https://openalex.org/W2943608884"],"abstract_inverted_index":{"The":[0,45],"purpose":[1],"of":[2,10,26,39,83,134],"the":[3,8,14,32,71,80,140],"paper":[4],"is":[5,68,106],"to":[6,36],"examine":[7],"nature":[9],"chemical":[11,40,84,109],"concepts,":[12,41,93,110],"and":[13,30,42,57,63,77,89,96,102,118,123,128],"ways":[15],"in":[16,21,28,31,47,52,126,139],"which":[17,48],"they":[18],"are":[19,50,61],"applied":[20,51],"chemoinformatics":[22],"systems.":[23],"An":[24],"account":[25],"concepts":[27,49,73,82,135],"philosophy":[29],"information":[33,55],"sciences":[34],"leads":[35],"an":[37,130],"analysis":[38],"their":[43,116],"representation.":[44],"way":[46],"systems":[53],"for":[54,58],"retrieval":[56],"structure\u2013property":[59],"correlation":[60],"reviewed,":[62],"some":[64],"issues":[65],"noted.":[66],"Attention":[67],"focused":[69],"on":[70,79,90],"basic":[72],"or":[74],"substance,":[75],"reaction":[76,100],"property,":[78],"organising":[81],"structure,":[85],"structural":[86,98],"similarity,":[87],"periodicity,":[88],"more":[91],"specific":[92],"including":[94],"two-":[95],"three-dimensional":[97],"patterns,":[99],"types,":[101],"property":[103],"concepts.":[104],"It":[105],"concluded":[107],"that":[108,129],"despite":[111],"(or":[112],"perhaps":[113],"because":[114],"of)":[115],"vague":[117],"mutable":[119],"nature,":[120],"have":[121,137],"considerable":[122],"continuing":[124],"value":[125,138],"chemoinformatics,":[127],"increased":[131],"formal":[132],"treatment":[133],"may":[136],"future.":[141]},"counts_by_year":[{"year":2020,"cited_by_count":1}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}