{"id":"https://openalex.org/W2153580566","doi":"https://doi.org/10.1186/1758-2946-3-43","title":"The semantics of Chemical Markup Language (CML): dictionaries and conventions","display_name":"The semantics of Chemical Markup Language (CML): dictionaries and conventions","publication_year":2011,"publication_date":"2011-10-14","ids":{"openalex":"https://openalex.org/W2153580566","doi":"https://doi.org/10.1186/1758-2946-3-43","mag":"2153580566","pmid":"https://pubmed.ncbi.nlm.nih.gov/21999509"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-3-43","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-43","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-43","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://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-43","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5041092827","display_name":"Peter Murray\u2010Rust","orcid":"https://orcid.org/0000-0003-3386-3972"},"institutions":[{"id":"https://openalex.org/I1342131907","display_name":"Unilever (United Kingdom)","ror":"https://ror.org/05n8ah907","country_code":"GB","type":"company","lineage":["https://openalex.org/I1342131907"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Peter Murray-Rust","raw_affiliation_strings":["Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge CB2 1EW, UK. pm286@cam.ac.uk","Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge CB2 1EW, UK. pm286@cam.ac.uk","institution_ids":[]},{"raw_affiliation_string":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5029919865","display_name":"Joe Townsend","orcid":"https://orcid.org/0000-0002-5478-0028"},"institutions":[{"id":"https://openalex.org/I1342131907","display_name":"Unilever (United Kingdom)","ror":"https://ror.org/05n8ah907","country_code":"GB","type":"company","lineage":["https://openalex.org/I1342131907"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Joe A Townsend","raw_affiliation_strings":["Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5048250757","display_name":"Sam Adams","orcid":"https://orcid.org/0000-0001-7141-0400"},"institutions":[{"id":"https://openalex.org/I1342131907","display_name":"Unilever (United Kingdom)","ror":"https://ror.org/05n8ah907","country_code":"GB","type":"company","lineage":["https://openalex.org/I1342131907"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Sam E Adams","raw_affiliation_strings":["Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5037593158","display_name":"Weerapong Phadungsukanan","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Weerapong Phadungsukanan","raw_affiliation_strings":["Department of Chemical Engineering, Pembroke Street, Cambridge, CB2 3RA, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemical Engineering, Pembroke Street, Cambridge, CB2 3RA, UK","institution_ids":[]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5082040267","display_name":"Jens M. H. Thomas","orcid":"https://orcid.org/0000-0003-0277-8505"},"institutions":[{"id":"https://openalex.org/I2802015276","display_name":"Daresbury Laboratory","ror":"https://ror.org/0089bg420","country_code":"GB","type":"facility","lineage":["https://openalex.org/I162524378","https://openalex.org/I2802015276","https://openalex.org/I4210087105"]},{"id":"https://openalex.org/I4210102012","display_name":"Sci-Tech Daresbury","ror":"https://ror.org/015ff4823","country_code":"GB","type":"facility","lineage":["https://openalex.org/I4210102012"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Jens Thomas","raw_affiliation_strings":["STFC Daresbury Laboratory, Daresbury Science and Innovation Campus, Warrington, WA4 4AD, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"STFC Daresbury Laboratory, Daresbury Science and Innovation Campus, Warrington, WA4 4AD, UK","institution_ids":["https://openalex.org/I2802015276","https://openalex.org/I4210102012"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5041092827"],"corresponding_institution_ids":["https://openalex.org/I1342131907"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":5.276,"has_fulltext":true,"cited_by_count":33,"citation_normalized_percentile":{"value":0.95641074,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"3","issue":"1","first_page":"43","last_page":"43"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10215","display_name":"Semantic Web and Ontologies","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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/T10215","display_name":"Semantic Web and Ontologies","score":0.9976999759674072,"subfield":{"id":"https://openalex.org/subfields/1702","display_name":"Artificial Intelligence"},"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":0.9926000237464905,"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/T10317","display_name":"Advanced Database Systems and Queries","score":0.9230999946594238,"subfield":{"id":"https://openalex.org/subfields/1705","display_name":"Computer Networks and Communications"},"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/computer-science","display_name":"Computer science","score":0.8679631352424622},{"id":"https://openalex.org/keywords/markup-language","display_name":"Markup language","score":0.7225520610809326},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.6185019016265869},{"id":"https://openalex.org/keywords/semantics","display_name":"Semantics (computer science)","score":0.6065077781677246},{"id":"https://openalex.org/keywords/natural-language-processing","display_name":"Natural language processing","score":0.5804834961891174},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.5064889192581177},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.4301328659057617},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.3760758638381958},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.255511999130249},{"id":"https://openalex.org/keywords/xml","display_name":"XML","score":0.18912839889526367}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8679631352424622},{"id":"https://openalex.org/C45874996","wikidata":"https://www.wikidata.org/wiki/Q37045","display_name":"Markup language","level":3,"score":0.7225520610809326},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.6185019016265869},{"id":"https://openalex.org/C184337299","wikidata":"https://www.wikidata.org/wiki/Q1437428","display_name":"Semantics (computer science)","level":2,"score":0.6065077781677246},{"id":"https://openalex.org/C204321447","wikidata":"https://www.wikidata.org/wiki/Q30642","display_name":"Natural language processing","level":1,"score":0.5804834961891174},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.5064889192581177},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.4301328659057617},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.3760758638381958},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.255511999130249},{"id":"https://openalex.org/C8797682","wikidata":"https://www.wikidata.org/wiki/Q2115","display_name":"XML","level":2,"score":0.18912839889526367}],"mesh":[],"locations_count":7,"locations":[{"id":"doi:10.1186/1758-2946-3-43","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-43","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-43","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:21999509","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21999509","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":null},{"id":"pmh:oai:doaj.org/article:d3c4b7e0602f4e26a15c696bb1ef9273","is_oa":true,"landing_page_url":"https://doaj.org/article/d3c4b7e0602f4e26a15c696bb1ef9273","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":"Journal of Cheminformatics, Vol 3, Iss 1, p 43 (2011)","raw_type":"article"},{"id":"pmh:oai:epubs.cclrc.ac.uk:work/62084","is_oa":false,"landing_page_url":"http://purl.org/net/epubs/work/62084","pdf_url":null,"source":{"id":"https://openalex.org/S4306400334","display_name":"Science and Technology Facilities Council","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":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":""},{"id":"pmh:oai:europepmc.org:2210049","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3206453","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"},{"id":"pmh:oai:www.repository.cam.ac.uk:1810/238386","is_oa":false,"landing_page_url":"http://www.dspace.cam.ac.uk/handle/1810/238386","pdf_url":null,"source":{"id":"https://openalex.org/S4306401777","display_name":"Apollo (University of Cambridge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I241749","host_organization_name":"University of Cambridge","host_organization_lineage":["https://openalex.org/I241749"],"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:www.repository.cam.ac.uk:1810/239929","is_oa":true,"landing_page_url":"http://www.dspace.cam.ac.uk/handle/1810/239929","pdf_url":null,"source":{"id":"https://openalex.org/S4306401777","display_name":"Apollo (University of Cambridge)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I241749","host_organization_name":"University of Cambridge","host_organization_lineage":["https://openalex.org/I241749"],"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":"Article"}],"best_oa_location":{"id":"doi:10.1186/1758-2946-3-43","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-43","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-43","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":[{"score":0.75,"display_name":"Quality Education","id":"https://metadata.un.org/sdg/4"}],"awards":[],"funders":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2153580566.pdf","grobid_xml":"https://content.openalex.org/works/W2153580566.grobid-xml"},"referenced_works_count":15,"referenced_works":["https://openalex.org/W1617309848","https://openalex.org/W1973364310","https://openalex.org/W2002206224","https://openalex.org/W2023447441","https://openalex.org/W2025138246","https://openalex.org/W2045155277","https://openalex.org/W2058673890","https://openalex.org/W2097613730","https://openalex.org/W2111044246","https://openalex.org/W2144573571","https://openalex.org/W2152652376","https://openalex.org/W2730232141","https://openalex.org/W2780912412","https://openalex.org/W2901896306","https://openalex.org/W6636214696"],"related_works":["https://openalex.org/W4385386698","https://openalex.org/W4388119604","https://openalex.org/W2954418080","https://openalex.org/W3121570353","https://openalex.org/W818235636","https://openalex.org/W4388119676","https://openalex.org/W1566913699","https://openalex.org/W2081328318","https://openalex.org/W2127574606","https://openalex.org/W2788308474"],"abstract_inverted_index":{"The":[0,11],"semantic":[1],"architecture":[2],"of":[3,6,62],"CML":[4,53],"consists":[5],"conventions,":[7,73],"dictionaries":[8,65,74],"and":[9,18,55,64,75,80],"units.":[10,71],"conventions":[12,63],"conform":[13,29],"to":[14,30,48,68],"a":[15,31,52],"top-level":[16],"specification":[17,33],"each":[19],"convention":[20],"can":[21,44],"constrain":[22],"compliant":[23],"documents":[24],"through":[25,82],"machine-processing":[26],"(validation).":[27],"Dictionaries":[28],"dictionary":[32,43,76],"which":[34],"also":[35,45],"imposes":[36],"machine":[37],"validation":[38],"on":[39],"the":[40],"dictionaries.":[41],"Each":[42],"be":[46],"used":[47,67],"validate":[49],"data":[50],"in":[51],"document,":[54],"provide":[56],"human-readable":[57],"descriptions.":[58],"An":[59],"additional":[60],"set":[61],"are":[66,78],"support":[69],"scientific":[70],"All":[72],"elements":[77],"identifiable":[79],"addressable":[81],"unique":[83],"URIs.":[84]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":3},{"year":2021,"cited_by_count":3},{"year":2020,"cited_by_count":3},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2017,"cited_by_count":1},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":3},{"year":2014,"cited_by_count":1},{"year":2013,"cited_by_count":7},{"year":2012,"cited_by_count":2}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}