{"id":"https://openalex.org/W2139815374","doi":"https://doi.org/10.1186/1758-2946-5-s1-p26","title":"Relating GPCRs pharmacological space based on ligands chemical similarities","display_name":"Relating GPCRs pharmacological space based on ligands chemical similarities","publication_year":2013,"publication_date":"2013-03-01","ids":{"openalex":"https://openalex.org/W2139815374","doi":"https://doi.org/10.1186/1758-2946-5-s1-p26","mag":"2139815374"},"language":"en","primary_location":{"id":"doi:10.1186/1758-2946-5-s1-p26","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p26","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-S1-P26","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"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-S1-P26","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5076832707","display_name":"Alexios Koutsoukas","orcid":null},"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":true,"raw_author_name":"Alexios Koutsoukas","raw_affiliation_strings":["Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK","institution_ids":["https://openalex.org/I241749","https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5002165980","display_name":"Rubben Torella","orcid":"https://orcid.org/0000-0003-0765-2098"},"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":"Rubben Torella","raw_affiliation_strings":["Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK","institution_ids":["https://openalex.org/I241749","https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":null,"display_name":"George Drakakis","orcid":null},"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":"George Drakakis","raw_affiliation_strings":["Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK","institution_ids":["https://openalex.org/I241749","https://openalex.org/I1342131907"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5026643759","display_name":"Andreas Bender","orcid":"https://orcid.org/0000-0002-6683-7546"},"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":"Andreas Bender","raw_affiliation_strings":["Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK","institution_ids":["https://openalex.org/I241749","https://openalex.org/I1342131907"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5014283781","display_name":"Robert C. Glen","orcid":"https://orcid.org/0000-0003-1759-2914"},"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":"Robert C Glen","raw_affiliation_strings":["Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Lensfield Road, Cambridge, CB2 1EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Unilever Centre for Molecular Informatics, Department of Chemistry, University of Cambridge, Cambridge, UK","institution_ids":["https://openalex.org/I241749","https://openalex.org/I1342131907"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":5,"corresponding_author_ids":["https://openalex.org/A5076832707"],"corresponding_institution_ids":["https://openalex.org/I1342131907","https://openalex.org/I241749"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":0.0,"has_fulltext":true,"cited_by_count":0,"citation_normalized_percentile":{"value":0.15176057,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"5","issue":"S1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998999834060669,"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":0.9998999834060669,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9993000030517578,"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/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9851999878883362,"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/chembl","display_name":"chEMBL","score":0.903325080871582},{"id":"https://openalex.org/keywords/g-protein-coupled-receptor","display_name":"G protein-coupled receptor","score":0.7743778228759766},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.7687903642654419},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.6195180416107178},{"id":"https://openalex.org/keywords/similarity","display_name":"Similarity (geometry)","score":0.5596954822540283},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.47292831540107727},{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.4450560510158539},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.40912720561027527},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.3904470205307007},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.26515644788742065},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.2076319456100464},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.17652779817581177},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.09334510564804077}],"concepts":[{"id":"https://openalex.org/C63222358","wikidata":"https://www.wikidata.org/wiki/Q6120337","display_name":"chEMBL","level":3,"score":0.903325080871582},{"id":"https://openalex.org/C135285700","wikidata":"https://www.wikidata.org/wiki/Q38173","display_name":"G protein-coupled receptor","level":3,"score":0.7743778228759766},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.7687903642654419},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6195180416107178},{"id":"https://openalex.org/C103278499","wikidata":"https://www.wikidata.org/wiki/Q254465","display_name":"Similarity (geometry)","level":3,"score":0.5596954822540283},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.47292831540107727},{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.4450560510158539},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.40912720561027527},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.3904470205307007},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.26515644788742065},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.2076319456100464},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.17652779817581177},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.09334510564804077},{"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/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0}],"mesh":[],"locations_count":3,"locations":[{"id":"doi:10.1186/1758-2946-5-s1-p26","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p26","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-S1-P26","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":"pmh:oai:europepmc.org:2605513","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3606299","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:1810/244358","is_oa":true,"landing_page_url":"http://www.dspace.cam.ac.uk/handle/1810/244358","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:10.1186/1758-2946-5-s1-p26","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1758-2946-5-s1-p26","pdf_url":"https://jcheminf.biomedcentral.com/counter/pdf/10.1186/1758-2946-5-S1-P26","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":0.8199999928474426,"id":"https://metadata.un.org/sdg/14","display_name":"Life below water"}],"awards":[],"funders":[],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2139815374.pdf","grobid_xml":"https://content.openalex.org/works/W2139815374.grobid-xml"},"referenced_works_count":4,"referenced_works":["https://openalex.org/W1972821149","https://openalex.org/W2068271330","https://openalex.org/W2162011385","https://openalex.org/W2319693370"],"related_works":["https://openalex.org/W3005441379","https://openalex.org/W4207063555","https://openalex.org/W2997728144","https://openalex.org/W2604173773","https://openalex.org/W2770765812","https://openalex.org/W4210747027","https://openalex.org/W3117153716","https://openalex.org/W2791678506","https://openalex.org/W3018201610","https://openalex.org/W4385760073"],"abstract_inverted_index":{"RIGHTS":[0],":":[1,26],"This":[2],"article":[3],"is":[4,14],"licensed":[5],"under":[6,44],"the":[7,17,31,41,45,48,68],"BioMed":[8],"Central":[9],"licence":[10],"at":[11],"http://www.biomedcentral.com/about/license":[12],"which":[13],"similar":[15],"to":[16,65],"'Creative":[18],"Commons":[19],"Attribution":[20],"Licence'.":[21],"In":[22],"brief":[23],"you":[24],"may":[25],"copy,":[27],"distribute,":[28],"and":[29],"display":[30],"work;":[32],"make":[33,37],"derivative":[34],"works;":[35],"or":[36,58],"commercial":[38],"use":[39],"of":[40,71],"work":[42,73],"-":[43],"following":[46],"conditions:":[47],"original":[49],"author":[50],"must":[51,61],"be":[52,62],"given":[53],"credit;":[54],"for":[55],"any":[56],"reuse":[57],"distribution,":[59],"it":[60],"made":[63],"clear":[64],"others":[66],"what":[67],"license":[69],"terms":[70],"this":[72],"are.":[74]},"counts_by_year":[],"updated_date":"2026-04-21T08:09:41.155169","created_date":"2025-10-10T00:00:00"}
