{"id":"https://openalex.org/W2096394062","doi":"https://doi.org/10.1186/1758-2946-3-39","title":"CMLLite: a design philosophy for CML","display_name":"CMLLite: a design philosophy for CML","publication_year":2011,"publication_date":"2011-10-14","ids":{"openalex":"https://openalex.org/W2096394062","doi":"https://doi.org/10.1186/1758-2946-3-39","mag":"2096394062","pmid":"https://pubmed.ncbi.nlm.nih.gov/21999395"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-3-39","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-39","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-39","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/10.1186/1758-2946-3-39","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5029919865","display_name":"Joe Townsend","orcid":"https://orcid.org/0000-0002-5478-0028"},"institutions":[{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Joe A Townsend","raw_affiliation_strings":["Unilever Centre for Molecular Science Informatics, Department of Chemistry, Lensfield Road, Cambridge, CB2 1EW, UK. pm286@cam.ac.uk","Department of Chemistry, Unilever Centre for Molecular Science Informatics, Cambridge, 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":"Department of Chemistry, Unilever Centre for Molecular Science Informatics, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"last","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"]},{"id":"https://openalex.org/I241749","display_name":"University of Cambridge","ror":"https://ror.org/013meh722","country_code":"GB","type":"education","lineage":["https://openalex.org/I241749"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Peter Murray-Rust","raw_affiliation_strings":["Department of Chemistry, Unilever Centre for Molecular Science Informatics, Lensfield Road, Cambridge, CB2 1EW, UK","Department of Chemistry, Unilever Centre for Molecular Science Informatics, Cambridge, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Unilever Centre for Molecular Science Informatics, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I1342131907"]},{"raw_affiliation_string":"Department of Chemistry, Unilever Centre for Molecular Science Informatics, Cambridge, UK","institution_ids":["https://openalex.org/I241749"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5029919865"],"corresponding_institution_ids":["https://openalex.org/I241749"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":2.1983,"has_fulltext":true,"cited_by_count":12,"citation_normalized_percentile":{"value":0.89287592,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":98},"biblio":{"volume":"3","issue":"1","first_page":"39","last_page":"39"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10215","display_name":"Semantic Web and Ontologies","score":0.9994999766349792,"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":0.9994999766349792,"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":0.995199978351593,"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/T11986","display_name":"Scientific Computing and Data Management","score":0.9911999702453613,"subfield":{"id":"https://openalex.org/subfields/1802","display_name":"Information Systems and Management"},"field":{"id":"https://openalex.org/fields/18","display_name":"Decision Sciences"},"domain":{"id":"https://openalex.org/domains/2","display_name":"Social Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/validator","display_name":"Validator","score":0.933509349822998},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.8206262588500977},{"id":"https://openalex.org/keywords/schema","display_name":"Schema (genetic algorithms)","score":0.7279680371284485},{"id":"https://openalex.org/keywords/markup-language","display_name":"Markup language","score":0.7270365953445435},{"id":"https://openalex.org/keywords/world-wide-web","display_name":"World Wide Web","score":0.40097177028656006},{"id":"https://openalex.org/keywords/software-engineering","display_name":"Software engineering","score":0.3904361128807068},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.36803364753723145},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.3674575686454773},{"id":"https://openalex.org/keywords/xml","display_name":"XML","score":0.21301737427711487}],"concepts":[{"id":"https://openalex.org/C35292069","wikidata":"https://www.wikidata.org/wiki/Q1575458","display_name":"Validator","level":2,"score":0.933509349822998},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8206262588500977},{"id":"https://openalex.org/C52146309","wikidata":"https://www.wikidata.org/wiki/Q7431116","display_name":"Schema (genetic algorithms)","level":2,"score":0.7279680371284485},{"id":"https://openalex.org/C45874996","wikidata":"https://www.wikidata.org/wiki/Q37045","display_name":"Markup language","level":3,"score":0.7270365953445435},{"id":"https://openalex.org/C136764020","wikidata":"https://www.wikidata.org/wiki/Q466","display_name":"World Wide Web","level":1,"score":0.40097177028656006},{"id":"https://openalex.org/C115903868","wikidata":"https://www.wikidata.org/wiki/Q80993","display_name":"Software engineering","level":1,"score":0.3904361128807068},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.36803364753723145},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.3674575686454773},{"id":"https://openalex.org/C8797682","wikidata":"https://www.wikidata.org/wiki/Q2115","display_name":"XML","level":2,"score":0.21301737427711487}],"mesh":[],"locations_count":6,"locations":[{"id":"doi:10.1186/1758-2946-3-39","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-39","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-39","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:21999395","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21999395","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:80fae15bb2944e548c7c4006d6dea575","is_oa":true,"landing_page_url":"https://doaj.org/article/80fae15bb2944e548c7c4006d6dea575","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 39 (2011)","raw_type":"article"},{"id":"pmh:oai:pubmedcentral.nih.gov:3205043","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3205043","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Cheminform","raw_type":"Text"},{"id":"pmh:oai:www.repository.cam.ac.uk:1810/238390","is_oa":false,"landing_page_url":"http://www.dspace.cam.ac.uk/handle/1810/238390","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":"not applicable"},{"id":"pmh:oai:www.repository.cam.ac.uk:1810/239917","is_oa":true,"landing_page_url":"http://www.dspace.cam.ac.uk/handle/1810/239917","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:10.1186/1758-2946-3-39","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-3-39","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-3-39","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":[{"id":"https://openalex.org/F4320308943","display_name":"Microsoft Research","ror":"https://ror.org/00d0nc645"},{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2096394062.pdf","grobid_xml":"https://content.openalex.org/works/W2096394062.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W1488741662","https://openalex.org/W1556368970","https://openalex.org/W1573821708","https://openalex.org/W1577231857","https://openalex.org/W1744779065","https://openalex.org/W1791587663","https://openalex.org/W1969709265","https://openalex.org/W1989331024","https://openalex.org/W1996925740","https://openalex.org/W2014309790","https://openalex.org/W2019297588","https://openalex.org/W2020183754","https://openalex.org/W2023447441","https://openalex.org/W2025138246","https://openalex.org/W2041177626","https://openalex.org/W2044293420","https://openalex.org/W2058673890","https://openalex.org/W2152652376","https://openalex.org/W2153580566","https://openalex.org/W2155459813","https://openalex.org/W2160845726","https://openalex.org/W2165428180","https://openalex.org/W2216357933","https://openalex.org/W2223779580","https://openalex.org/W2481333803","https://openalex.org/W2573572361","https://openalex.org/W2599070920","https://openalex.org/W3143245542"],"related_works":["https://openalex.org/W4318683744","https://openalex.org/W2910132097","https://openalex.org/W4375842390","https://openalex.org/W2383224865","https://openalex.org/W3136330736","https://openalex.org/W4292825312","https://openalex.org/W4283366772","https://openalex.org/W4312790138","https://openalex.org/W1600705311","https://openalex.org/W4387505171"],"abstract_inverted_index":{"CMLLite":[0],"is":[1],"a":[2,15,40],"collection":[3],"of":[4,24,82],"definitions":[5],"and":[6,11,36,39,45,69,76,78],"processes":[7],"which":[8,58],"provide":[9],"strong":[10],"flexible":[12],"validation":[13,84],"for":[14],"document":[16],"in":[17,33],"Chemical":[18],"Markup":[19],"Language":[20],"(CML).":[21],"It":[22],"consists":[23],"an":[25,80],"updated":[26],"CML":[27],"schema":[28],"(schema3),":[29],"conventions":[30,67],"specifying":[31],"rules":[32],"both":[34,43],"human":[35],"machine-understandable":[37],"forms":[38],"validator":[41],"available":[42],"online":[44],"offline":[46],"to":[47,62],"check":[48],"conformance.":[49],"This":[50],"article":[51],"explores":[52],"the":[53,56,63,83],"rationale":[54],"behind":[55],"changes":[57],"have":[59],"been":[60],"made":[61],"schema,":[64],"explains":[65],"how":[66,70],"interact":[68],"they":[71],"are":[72],"designed,":[73],"formulated,":[74],"implemented":[75],"tested,":[77],"gives":[79],"overview":[81],"service.":[85]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":4},{"year":2013,"cited_by_count":2},{"year":2012,"cited_by_count":2}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2025-10-10T00:00:00"}
