{"id":"https://openalex.org/W3107843283","doi":"https://doi.org/10.3390/data5040114","title":"A Compendium of Chemical Class and Use Type Open Access Databases","display_name":"A Compendium of Chemical Class and Use Type Open Access Databases","publication_year":2020,"publication_date":"2020-12-04","ids":{"openalex":"https://openalex.org/W3107843283","doi":"https://doi.org/10.3390/data5040114","mag":"3107843283"},"language":"en","primary_location":{"id":"doi:10.3390/data5040114","is_oa":true,"landing_page_url":"https://doi.org/10.3390/data5040114","pdf_url":"https://www.mdpi.com/2306-5729/5/4/114/pdf?version=1607096895","source":{"id":"https://openalex.org/S4210226510","display_name":"Data","issn_l":"2306-5729","issn":["2306-5729"],"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":"Data","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://www.mdpi.com/2306-5729/5/4/114/pdf?version=1607096895","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5017786268","display_name":"Niklas Heinemann","orcid":"https://orcid.org/0000-0001-9474-135X"},"institutions":[{"id":"https://openalex.org/I2802076133","display_name":"University of Koblenz and Landau","ror":"https://ror.org/01j9f6752","country_code":"DE","type":"education","lineage":["https://openalex.org/I2802076133"]},{"id":"https://openalex.org/I4387153937","display_name":"Universit\u00e4t Koblenz","ror":"https://ror.org/0433e6t24","country_code":null,"type":"education","lineage":["https://openalex.org/I4387153937"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Niklas Heinemann","raw_affiliation_strings":["iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany","institution_ids":["https://openalex.org/I2802076133","https://openalex.org/I4387153937"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089089995","display_name":"Sascha Bub","orcid":null},"institutions":[{"id":"https://openalex.org/I2802076133","display_name":"University of Koblenz and Landau","ror":"https://ror.org/01j9f6752","country_code":"DE","type":"education","lineage":["https://openalex.org/I2802076133"]},{"id":"https://openalex.org/I4387153937","display_name":"Universit\u00e4t Koblenz","ror":"https://ror.org/0433e6t24","country_code":null,"type":"education","lineage":["https://openalex.org/I4387153937"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Sascha Bub","raw_affiliation_strings":["iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany","institution_ids":["https://openalex.org/I2802076133","https://openalex.org/I4387153937"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5060675622","display_name":"Jakob Wolfram","orcid":"https://orcid.org/0000-0002-0211-2191"},"institutions":[{"id":"https://openalex.org/I2802076133","display_name":"University of Koblenz and Landau","ror":"https://ror.org/01j9f6752","country_code":"DE","type":"education","lineage":["https://openalex.org/I2802076133"]},{"id":"https://openalex.org/I4387153937","display_name":"Universit\u00e4t Koblenz","ror":"https://ror.org/0433e6t24","country_code":null,"type":"education","lineage":["https://openalex.org/I4387153937"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Jakob Wolfram","raw_affiliation_strings":["iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany"],"raw_orcid":"https://orcid.org/0000-0002-0211-2191","affiliations":[{"raw_affiliation_string":"iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany","institution_ids":["https://openalex.org/I2802076133","https://openalex.org/I4387153937"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5069443199","display_name":"Sebastian Stehle","orcid":"https://orcid.org/0000-0003-2258-1929"},"institutions":[{"id":"https://openalex.org/I2802076133","display_name":"University of Koblenz and Landau","ror":"https://ror.org/01j9f6752","country_code":"DE","type":"education","lineage":["https://openalex.org/I2802076133"]},{"id":"https://openalex.org/I4387153937","display_name":"Universit\u00e4t Koblenz","ror":"https://ror.org/0433e6t24","country_code":null,"type":"education","lineage":["https://openalex.org/I4387153937"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Sebastian Stehle","raw_affiliation_strings":["EERES, \u00d6kosystemforschung Anlage Eu\u00dferthal, D-76857 Eu\u00dferthal, Germany","iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"EERES, \u00d6kosystemforschung Anlage Eu\u00dferthal, D-76857 Eu\u00dferthal, Germany","institution_ids":[]},{"raw_affiliation_string":"iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany","institution_ids":["https://openalex.org/I2802076133","https://openalex.org/I4387153937"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5079932370","display_name":"Lara L. Petschick","orcid":"https://orcid.org/0000-0003-2831-1962"},"institutions":[{"id":"https://openalex.org/I2802076133","display_name":"University of Koblenz and Landau","ror":"https://ror.org/01j9f6752","country_code":"DE","type":"education","lineage":["https://openalex.org/I2802076133"]},{"id":"https://openalex.org/I4387153937","display_name":"Universit\u00e4t Koblenz","ror":"https://ror.org/0433e6t24","country_code":null,"type":"education","lineage":["https://openalex.org/I4387153937"]}],"countries":["DE"],"is_corresponding":false,"raw_author_name":"Lara L. Petschick","raw_affiliation_strings":["iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany"],"raw_orcid":"https://orcid.org/0000-0003-2831-1962","affiliations":[{"raw_affiliation_string":"iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany","institution_ids":["https://openalex.org/I2802076133","https://openalex.org/I4387153937"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5078500831","display_name":"Ralf Schulz","orcid":"https://orcid.org/0000-0002-6348-6971"},"institutions":[{"id":"https://openalex.org/I2802076133","display_name":"University of Koblenz and Landau","ror":"https://ror.org/01j9f6752","country_code":"DE","type":"education","lineage":["https://openalex.org/I2802076133"]},{"id":"https://openalex.org/I4387153937","display_name":"Universit\u00e4t Koblenz","ror":"https://ror.org/0433e6t24","country_code":null,"type":"education","lineage":["https://openalex.org/I4387153937"]}],"countries":["DE"],"is_corresponding":true,"raw_author_name":"Ralf Schulz","raw_affiliation_strings":["EERES, \u00d6kosystemforschung Anlage Eu\u00dferthal, D-76857 Eu\u00dferthal, Germany","iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany"],"raw_orcid":"https://orcid.org/0000-0002-6348-6971","affiliations":[{"raw_affiliation_string":"EERES, \u00d6kosystemforschung Anlage Eu\u00dferthal, D-76857 Eu\u00dferthal, Germany","institution_ids":[]},{"raw_affiliation_string":"iES Landau, Institute for Environmental Sciences, University of Koblenz-Landau, D-76829 Landau, Germany","institution_ids":["https://openalex.org/I2802076133","https://openalex.org/I4387153937"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5078500831"],"corresponding_institution_ids":["https://openalex.org/I2802076133","https://openalex.org/I4387153937"],"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":2,"citation_normalized_percentile":{"value":0.19160323,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":91,"max":98},"biblio":{"volume":"5","issue":"4","first_page":"114","last_page":"114"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"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":0.9995999932289124,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9757999777793884,"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/T13180","display_name":"Chemistry and Chemical Engineering","score":0.942799985408783,"subfield":{"id":"https://openalex.org/subfields/2304","display_name":"Environmental Chemistry"},"field":{"id":"https://openalex.org/fields/23","display_name":"Environmental Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/compendium","display_name":"Compendium","score":0.6993641257286072},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5620304942131042},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.5410906076431274},{"id":"https://openalex.org/keywords/pubchem","display_name":"PubChem","score":0.5099364519119263},{"id":"https://openalex.org/keywords/benchmark","display_name":"Benchmark (surveying)","score":0.4172501564025879},{"id":"https://openalex.org/keywords/class","display_name":"Class (philosophy)","score":0.4113697111606598},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3766508996486664},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.12225940823554993},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.10310569405555725},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.08792746067047119}],"concepts":[{"id":"https://openalex.org/C2778473407","wikidata":"https://www.wikidata.org/wiki/Q1459574","display_name":"Compendium","level":2,"score":0.6993641257286072},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5620304942131042},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.5410906076431274},{"id":"https://openalex.org/C158180186","wikidata":"https://www.wikidata.org/wiki/Q278487","display_name":"PubChem","level":2,"score":0.5099364519119263},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.4172501564025879},{"id":"https://openalex.org/C2777212361","wikidata":"https://www.wikidata.org/wiki/Q5127848","display_name":"Class (philosophy)","level":2,"score":0.4113697111606598},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3766508996486664},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.12225940823554993},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.10310569405555725},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.08792746067047119},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.0},{"id":"https://openalex.org/C166957645","wikidata":"https://www.wikidata.org/wiki/Q23498","display_name":"Archaeology","level":1,"score":0.0},{"id":"https://openalex.org/C95457728","wikidata":"https://www.wikidata.org/wiki/Q309","display_name":"History","level":0,"score":0.0},{"id":"https://openalex.org/C13280743","wikidata":"https://www.wikidata.org/wiki/Q131089","display_name":"Geodesy","level":1,"score":0.0}],"mesh":[],"locations_count":4,"locations":[{"id":"doi:10.3390/data5040114","is_oa":true,"landing_page_url":"https://doi.org/10.3390/data5040114","pdf_url":"https://www.mdpi.com/2306-5729/5/4/114/pdf?version=1607096895","source":{"id":"https://openalex.org/S4210226510","display_name":"Data","issn_l":"2306-5729","issn":["2306-5729"],"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":"Data","raw_type":"journal-article"},{"id":"pmh:oai:RePEc:gam:jdataj:v:5:y:2020:i:4:p:114-:d:457205","is_oa":false,"landing_page_url":"https://www.mdpi.com/2306-5729/5/4/114/","pdf_url":null,"source":{"id":"https://openalex.org/S4306401271","display_name":"RePEc: Research Papers in Economics","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I77793887","host_organization_name":"Federal Reserve Bank of St. Louis","host_organization_lineage":["https://openalex.org/I77793887"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"article"},{"id":"pmh:oai:doaj.org/article:e6da05bf33ab4f858b35b0dfefd261f5","is_oa":true,"landing_page_url":"https://doaj.org/article/e6da05bf33ab4f858b35b0dfefd261f5","pdf_url":null,"source":{"id":"https://openalex.org/S112646816","display_name":"SHILAP Revista de lepidopterolog\u00eda","issn_l":"0300-5267","issn":["0300-5267","2340-4078"],"is_oa":true,"is_in_doaj":true,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Data, Vol 5, Iss 4, p 114 (2020)","raw_type":"article"},{"id":"pmh:oai:mdpi.com:/2306-5729/5/4/114/","is_oa":true,"landing_page_url":"https://dx.doi.org/10.3390/data5040114","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-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Data; Volume 5; Issue 4; Pages: 114","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.3390/data5040114","is_oa":true,"landing_page_url":"https://doi.org/10.3390/data5040114","pdf_url":"https://www.mdpi.com/2306-5729/5/4/114/pdf?version=1607096895","source":{"id":"https://openalex.org/S4210226510","display_name":"Data","issn_l":"2306-5729","issn":["2306-5729"],"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":"Data","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G2081722504","display_name":null,"funder_award_id":"DFG SCHU 2271/6-2","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"},{"id":"https://openalex.org/G5818619475","display_name":null,"funder_award_id":"SCHU 2271/6-2","funder_id":"https://openalex.org/F4320320879","funder_display_name":"Deutsche Forschungsgemeinschaft"}],"funders":[{"id":"https://openalex.org/F4320320879","display_name":"Deutsche Forschungsgemeinschaft","ror":"https://ror.org/018mejw64"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W3107843283.pdf","grobid_xml":"https://content.openalex.org/works/W3107843283.grobid-xml"},"referenced_works_count":13,"referenced_works":["https://openalex.org/W104403916","https://openalex.org/W1589990496","https://openalex.org/W1735360785","https://openalex.org/W2159295028","https://openalex.org/W2548357532","https://openalex.org/W2582123183","https://openalex.org/W2899070097","https://openalex.org/W2911227468","https://openalex.org/W2918021818","https://openalex.org/W3214785274","https://openalex.org/W4285719527","https://openalex.org/W4297845878","https://openalex.org/W6639689236"],"related_works":["https://openalex.org/W2384167225","https://openalex.org/W2104366126","https://openalex.org/W2113182373","https://openalex.org/W2119005669","https://openalex.org/W2088998312","https://openalex.org/W4255195499","https://openalex.org/W2547231910","https://openalex.org/W2235675062","https://openalex.org/W2481793228","https://openalex.org/W2008505552"],"abstract_inverted_index":{"With":[0],"an":[1,88],"ever-increasing":[2],"production":[3],"and":[4,11,21,43,91,105,108,126,142],"registration":[5],"of":[6,26,34,49,53,73,161],"chemical":[7,22,37,86],"substances,":[8,87],"obtaining":[9],"reliable":[10],"up":[12],"to":[13,67,152],"date":[14],"information":[15,45,164,174],"on":[16],"their":[17],"use":[18],"types":[19],"(UT)":[20],"class":[23],"(CC)":[24],"is":[25],"crucial":[27],"importance.":[28],"We":[29],"evaluated":[30],"the":[31,47,50,69,78,112,122,127,148,153,162,169],"current":[32,113],"status":[33],"open":[35],"access":[36],"substance":[38],"databases":[39],"(DBs)":[40],"regarding":[41],"UT":[42,107],"CC":[44,109],"using":[46],"\u201cMeta-analysis":[48],"Global":[51],"Impact":[52],"Chemicals\u201d":[54],"(MAGIC)":[55],"graph":[56],"as":[57,168],"a":[58],"benchmark.":[59],"A":[60],"decision":[61],"tree-based":[62],"selection":[63],"process":[64],"was":[65,94,97],"used":[66],"choose":[68],"most":[70],"suitable":[71],"out":[72],"96":[74],"databases.":[75],"To":[76,156],"compare":[77],"DB":[79],"content":[80],"for":[81,130],"100":[82],"weighted,":[83],"randomly":[84],"selected":[85],"extensive":[89],"quantitative":[90,106],"qualitative":[92,104],"analysis":[93],"performed.":[95],"It":[96],"found":[98],"that":[99],"four":[100],"DBs":[101,140,171],"yielded":[102],"more":[103],"results":[110],"than":[111],"MAGIC":[114],"graph:":[115],"The":[116,134],"European":[117],"Bioinformatics":[118],"Institute":[119],"DB,":[120],"ChemSpider,":[121],"English":[123],"Wikipedia":[124],"page,":[125],"National":[128],"Center":[129],"Biotechnology":[131],"Information":[132],"(NCBI).":[133],"NCBI,":[135],"along":[136],"with":[137],"its":[138],"subsidiary":[139],"PubChem":[141],"Medical":[143],"Subject":[144],"Headings":[145],"(MeSH),":[146],"showed":[147],"best":[149],"performance":[150],"according":[151],"defined":[154],"criteria.":[155],"analyse":[157],"large":[158],"datasets,":[159],"harmonisation":[160],"available":[163,170],"might":[165],"be":[166],"beneficial,":[167],"mostly":[172],"aggregate":[173],"without":[175],"harmonising":[176],"them.":[177]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2020-12-07T00:00:00"}