{"id":"https://openalex.org/W1988473086","doi":"https://doi.org/10.1007/bf00123999","title":"Characterising the geometric diversity of functional groups in chemical databases","display_name":"Characterising the geometric diversity of functional groups in chemical databases","publication_year":1995,"publication_date":"1995-10-01","ids":{"openalex":"https://openalex.org/W1988473086","doi":"https://doi.org/10.1007/bf00123999","mag":"1988473086"},"language":"en","primary_location":{"id":"doi:10.1007/bf00123999","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00123999","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},"type":"article","indexed_in":["crossref"],"open_access":{"is_oa":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103466995","display_name":"Susan M. Boyd","orcid":null},"institutions":[],"countries":[],"is_corresponding":true,"raw_author_name":"Susan M. Boyd","raw_affiliation_strings":["Department of Chemistry, University of York, YO1 5DD, Heslington, York, U.K","Department of Chemistry, University of York,Heslington,U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of York, YO1 5DD, Heslington, York, U.K","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, University of York,Heslington,U.K","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5081628546","display_name":"Martin Beverley","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Martin Beverley","raw_affiliation_strings":["Department of Chemistry, University of York, YO1 5DD, Heslington, York, U.K","Department of Chemistry, University of York,Heslington,U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of York, YO1 5DD, Heslington, York, U.K","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, University of York,Heslington,U.K","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5040996200","display_name":"Leif N\u00f8rskov","orcid":null},"institutions":[{"id":"https://openalex.org/I189090001","display_name":"Novo Nordisk (Denmark)","ror":"https://ror.org/0435rc536","country_code":"DK","type":"company","lineage":["https://openalex.org/I189090001","https://openalex.org/I2801134892","https://openalex.org/I4210159963"]}],"countries":["DK"],"is_corresponding":false,"raw_author_name":"Leif Norskov","raw_affiliation_strings":["Novo-Nordisk, DK-2880, Bagsvaerd, Denmark","Novo-Nordisk Bagsvaerd, Denmark"],"affiliations":[{"raw_affiliation_string":"Novo-Nordisk, DK-2880, Bagsvaerd, Denmark","institution_ids":["https://openalex.org/I189090001"]},{"raw_affiliation_string":"Novo-Nordisk Bagsvaerd, Denmark","institution_ids":["https://openalex.org/I189090001"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5074334005","display_name":"Roderick E. Hubbard","orcid":"https://orcid.org/0000-0002-8233-7461"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Roderick E. Hubbard","raw_affiliation_strings":["Department of Chemistry, University of York, YO1 5DD, Heslington, York, U.K","Department of Chemistry, University of York,Heslington,U.K"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of York, YO1 5DD, Heslington, York, U.K","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, University of York,Heslington,U.K","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5103466995"],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":6.9789,"has_fulltext":false,"cited_by_count":28,"citation_normalized_percentile":{"value":0.97330615,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"9","issue":"5","first_page":"417","last_page":"424"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9997000098228455,"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":0.9997000098228455,"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/T10908","display_name":"Analytical Chemistry and Chromatography","score":0.9995999932289124,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9934999942779541,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/diversity","display_name":"Diversity (politics)","score":0.7284965515136719},{"id":"https://openalex.org/keywords/variety","display_name":"Variety (cybernetics)","score":0.5993152260780334},{"id":"https://openalex.org/keywords/database","display_name":"Database","score":0.547284722328186},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.45783427357673645},{"id":"https://openalex.org/keywords/intramolecular-force","display_name":"Intramolecular force","score":0.4174862504005432},{"id":"https://openalex.org/keywords/information-retrieval","display_name":"Information retrieval","score":0.3542085886001587},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.15408191084861755},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.12954771518707275},{"id":"https://openalex.org/keywords/sociology","display_name":"Sociology","score":0.12846684455871582}],"concepts":[{"id":"https://openalex.org/C2781316041","wikidata":"https://www.wikidata.org/wiki/Q1230584","display_name":"Diversity (politics)","level":2,"score":0.7284965515136719},{"id":"https://openalex.org/C136197465","wikidata":"https://www.wikidata.org/wiki/Q1729295","display_name":"Variety (cybernetics)","level":2,"score":0.5993152260780334},{"id":"https://openalex.org/C77088390","wikidata":"https://www.wikidata.org/wiki/Q8513","display_name":"Database","level":1,"score":0.547284722328186},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.45783427357673645},{"id":"https://openalex.org/C75079739","wikidata":"https://www.wikidata.org/wiki/Q1571801","display_name":"Intramolecular force","level":2,"score":0.4174862504005432},{"id":"https://openalex.org/C23123220","wikidata":"https://www.wikidata.org/wiki/Q816826","display_name":"Information retrieval","level":1,"score":0.3542085886001587},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.15408191084861755},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.12954771518707275},{"id":"https://openalex.org/C144024400","wikidata":"https://www.wikidata.org/wiki/Q21201","display_name":"Sociology","level":0,"score":0.12846684455871582},{"id":"https://openalex.org/C19165224","wikidata":"https://www.wikidata.org/wiki/Q23404","display_name":"Anthropology","level":1,"score":0.0},{"id":"https://openalex.org/C71240020","wikidata":"https://www.wikidata.org/wiki/Q186011","display_name":"Stereochemistry","level":1,"score":0.0}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.1007/bf00123999","is_oa":false,"landing_page_url":"https://doi.org/10.1007/bf00123999","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"mag:8594159","is_oa":false,"landing_page_url":"http://www.cqvip.com/qk/88710X/200808/27950179.html","pdf_url":null,"source":{"id":"https://openalex.org/S4306542149","display_name":"\u4e2d\u56fd\u79d1\u6559\u521b\u65b0\u5bfc\u520a","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":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"\u4e2d\u56fd\u79d1\u6559\u521b\u65b0\u5bfc\u520a","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":17,"referenced_works":["https://openalex.org/W1973191530","https://openalex.org/W1977429173","https://openalex.org/W1979453000","https://openalex.org/W1982176049","https://openalex.org/W1994859764","https://openalex.org/W1999968212","https://openalex.org/W2007618885","https://openalex.org/W2011621147","https://openalex.org/W2022656506","https://openalex.org/W2028983179","https://openalex.org/W2035349592","https://openalex.org/W2055891292","https://openalex.org/W2067080453","https://openalex.org/W2074267393","https://openalex.org/W2080653934","https://openalex.org/W2119099995","https://openalex.org/W2155430111"],"related_works":["https://openalex.org/W2066271730","https://openalex.org/W2903092952","https://openalex.org/W2322757183","https://openalex.org/W1553817525","https://openalex.org/W2375120246","https://openalex.org/W1970737693","https://openalex.org/W2091710133","https://openalex.org/W1963638191","https://openalex.org/W4387899531","https://openalex.org/W1979596557"],"abstract_inverted_index":null,"counts_by_year":[{"year":2019,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2016-06-24T00:00:00"}
