{"id":"https://openalex.org/W2779854606","doi":"https://doi.org/10.1186/s13321-017-0249-4","title":"Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases","display_name":"Computer-aided design of multi-target ligands at A1R, A2AR and PDE10A, key proteins in neurodegenerative diseases","publication_year":2017,"publication_date":"2017-12-01","ids":{"openalex":"https://openalex.org/W2779854606","doi":"https://doi.org/10.1186/s13321-017-0249-4","mag":"2779854606","pmid":"https://pubmed.ncbi.nlm.nih.gov/29290010"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-017-0249-4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-017-0249-4","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-017-0249-4","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","datacite","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-017-0249-4","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5057661647","display_name":"Leen Kalash","orcid":"https://orcid.org/0000-0002-1751-6658"},"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":"Leen Kalash","raw_affiliation_strings":["Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076650676","display_name":"Cristina Val","orcid":"https://orcid.org/0009-0001-8761-8545"},"institutions":[{"id":"https://openalex.org/I4210111807","display_name":"Center for Research in Molecular Medicine and Chronic Diseases","ror":"https://ror.org/0280bnq76","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210111807"]},{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Cristina Val","raw_affiliation_strings":["Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain","Center for Research in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain"],"affiliations":[{"raw_affiliation_string":"Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain","institution_ids":["https://openalex.org/I200284239"]},{"raw_affiliation_string":"Center for Research in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain","institution_ids":["https://openalex.org/I4210111807","https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5062330008","display_name":"Jhonny Azuaje","orcid":"https://orcid.org/0000-0001-9726-0455"},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jhonny Azuaje","raw_affiliation_strings":["Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain"],"affiliations":[{"raw_affiliation_string":"Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain","institution_ids":["https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5064817004","display_name":"Mar\u0131\u0301a Isabel Loza","orcid":"https://orcid.org/0000-0003-4730-0863"},"institutions":[{"id":"https://openalex.org/I4210111807","display_name":"Center for Research in Molecular Medicine and Chronic Diseases","ror":"https://ror.org/0280bnq76","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210111807"]},{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Mar\u00eda I. Loza","raw_affiliation_strings":["Center for Research in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain"],"affiliations":[{"raw_affiliation_string":"Center for Research in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain","institution_ids":["https://openalex.org/I4210111807","https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5087233240","display_name":"Fredrik Svensson","orcid":"https://orcid.org/0000-0002-5556-8133"},"institutions":[{"id":"https://openalex.org/I85384539","display_name":"GW Pharmaceuticals (United Kingdom)","ror":"https://ror.org/01gtctx88","country_code":"GB","type":"company","lineage":["https://openalex.org/I85384539"]},{"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":"Fredrik Svensson","raw_affiliation_strings":["Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","IOTA Pharmaceuticals Ltd, St Johns Innovation Centre, Cowley Road, Cambridge, CB40WS, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"IOTA Pharmaceuticals Ltd, St Johns Innovation Centre, Cowley Road, Cambridge, CB40WS, UK","institution_ids":["https://openalex.org/I85384539"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5072182550","display_name":"Azedine Zoufir","orcid":"https://orcid.org/0000-0001-8501-5348"},"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":false,"raw_author_name":"Azedine Zoufir","raw_affiliation_strings":["Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5088554828","display_name":"Lewis Mervin","orcid":"https://orcid.org/0000-0002-7271-0824"},"institutions":[{"id":"https://openalex.org/I105036370","display_name":"AstraZeneca (United Kingdom)","ror":"https://ror.org/04r9x1a08","country_code":"GB","type":"company","lineage":["https://openalex.org/I105036370"]},{"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":"Lewis Mervin","raw_affiliation_strings":["Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","Discovery Sciences, AstraZeneca R&D, Cambridge Science Park, Cambridge, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Discovery Sciences, AstraZeneca R&D, Cambridge Science Park, Cambridge, UK","institution_ids":["https://openalex.org/I105036370"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076475814","display_name":"Graham Ladds","orcid":"https://orcid.org/0000-0001-7320-9612"},"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":false,"raw_author_name":"Graham Ladds","raw_affiliation_strings":["Department of Pharmacology, University of Cambridge, Tennis Court Road, Cambridge, CB21QJ, UK"],"affiliations":[{"raw_affiliation_string":"Department of Pharmacology, University of Cambridge, Tennis Court Road, Cambridge, CB21QJ, UK","institution_ids":["https://openalex.org/I241749"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5058712463","display_name":"Jos\u00e9 Brea","orcid":"https://orcid.org/0000-0002-5523-1979"},"institutions":[{"id":"https://openalex.org/I4210111807","display_name":"Center for Research in Molecular Medicine and Chronic Diseases","ror":"https://ror.org/0280bnq76","country_code":"ES","type":"facility","lineage":["https://openalex.org/I4210111807"]},{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Jos\u00e9 Brea","raw_affiliation_strings":["Center for Research in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain"],"affiliations":[{"raw_affiliation_string":"Center for Research in Molecular Medicine and Chronic Diseases (CIMUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain","institution_ids":["https://openalex.org/I4210111807","https://openalex.org/I200284239"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5014283781","display_name":"Robert C. Glen","orcid":"https://orcid.org/0000-0003-1759-2914"},"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"]},{"id":"https://openalex.org/I47508984","display_name":"Imperial College London","ror":"https://ror.org/041kmwe10","country_code":"GB","type":"education","lineage":["https://openalex.org/I47508984"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Robert Glen","raw_affiliation_strings":["Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","Division of Computational and Systems Medicine, Department of Surgery and Cancer, Imperial College London, London, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","institution_ids":["https://openalex.org/I241749"]},{"raw_affiliation_string":"Division of Computational and Systems Medicine, Department of Surgery and Cancer, Imperial College London, London, UK","institution_ids":["https://openalex.org/I47508984"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075652944","display_name":"Eddy Sotelo","orcid":"https://orcid.org/0000-0001-5571-2812"},"institutions":[{"id":"https://openalex.org/I200284239","display_name":"Universidade de Santiago de Compostela","ror":"https://ror.org/030eybx10","country_code":"ES","type":"education","lineage":["https://openalex.org/I200284239"]}],"countries":["ES"],"is_corresponding":false,"raw_author_name":"Eddy Sotelo","raw_affiliation_strings":["Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain. e.sotelo@usc.es","Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain"],"affiliations":[{"raw_affiliation_string":"Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain. e.sotelo@usc.es","institution_ids":[]},{"raw_affiliation_string":"Center for Research in Biological Chemistry and Molecular Materials (CIQUS), University of Santiago de Compostela, 15782, Santiago de Compostela, Spain","institution_ids":["https://openalex.org/I200284239"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5026643759","display_name":"Andreas Bender","orcid":"https://orcid.org/0000-0002-6683-7546"},"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":false,"raw_author_name":"Andreas Bender","raw_affiliation_strings":["Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK. ab454@cam.ac.uk","Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK"],"affiliations":[{"raw_affiliation_string":"Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK. ab454@cam.ac.uk","institution_ids":[]},{"raw_affiliation_string":"Department of Chemistry, Centre for Molecular Informatics, University of Cambridge, Lensfield Road, Cambridge, CB21EW, UK","institution_ids":["https://openalex.org/I241749"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":12,"corresponding_author_ids":["https://openalex.org/A5057661647"],"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":0.9748,"has_fulltext":true,"cited_by_count":15,"citation_normalized_percentile":{"value":0.75504119,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":98},"biblio":{"volume":"9","issue":"1","first_page":"67","last_page":"67"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12434","display_name":"Phosphodiesterase function and regulation","score":0.9991000294685364,"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"}},"topics":[{"id":"https://openalex.org/T12434","display_name":"Phosphodiesterase function and regulation","score":0.9991000294685364,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.996999979019165,"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/T12251","display_name":"Synthesis and Catalytic Reactions","score":0.995199978351593,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/in-silico","display_name":"In silico","score":0.6627554893493652},{"id":"https://openalex.org/keywords/docking","display_name":"Docking (animal)","score":0.5345375537872314},{"id":"https://openalex.org/keywords/phosphodiesterase","display_name":"Phosphodiesterase","score":0.5344530344009399},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.5265757441520691},{"id":"https://openalex.org/keywords/adenosine-receptor","display_name":"Adenosine receptor","score":0.5145427584648132},{"id":"https://openalex.org/keywords/pde10a","display_name":"PDE10A","score":0.4807962477207184},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.4508299231529236},{"id":"https://openalex.org/keywords/combinatorial-chemistry","display_name":"Combinatorial chemistry","score":0.4159301519393921},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.4029756784439087},{"id":"https://openalex.org/keywords/pharmacology","display_name":"Pharmacology","score":0.35300225019454956},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.2706837058067322},{"id":"https://openalex.org/keywords/medicine","display_name":"Medicine","score":0.18943703174591064},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.18646395206451416},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.16201496124267578},{"id":"https://openalex.org/keywords/agonist","display_name":"Agonist","score":0.12331268191337585},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.12052872776985168}],"concepts":[{"id":"https://openalex.org/C2775905019","wikidata":"https://www.wikidata.org/wiki/Q192572","display_name":"In silico","level":3,"score":0.6627554893493652},{"id":"https://openalex.org/C41685203","wikidata":"https://www.wikidata.org/wiki/Q1974042","display_name":"Docking (animal)","level":2,"score":0.5345375537872314},{"id":"https://openalex.org/C62826618","wikidata":"https://www.wikidata.org/wiki/Q424304","display_name":"Phosphodiesterase","level":3,"score":0.5344530344009399},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.5265757441520691},{"id":"https://openalex.org/C67907053","wikidata":"https://www.wikidata.org/wiki/Q356147","display_name":"Adenosine receptor","level":4,"score":0.5145427584648132},{"id":"https://openalex.org/C79418042","wikidata":"https://www.wikidata.org/wiki/Q5864325","display_name":"PDE10A","level":4,"score":0.4807962477207184},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.4508299231529236},{"id":"https://openalex.org/C21951064","wikidata":"https://www.wikidata.org/wiki/Q899212","display_name":"Combinatorial chemistry","level":1,"score":0.4159301519393921},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.4029756784439087},{"id":"https://openalex.org/C98274493","wikidata":"https://www.wikidata.org/wiki/Q128406","display_name":"Pharmacology","level":1,"score":0.35300225019454956},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.2706837058067322},{"id":"https://openalex.org/C71924100","wikidata":"https://www.wikidata.org/wiki/Q11190","display_name":"Medicine","level":0,"score":0.18943703174591064},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.18646395206451416},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.16201496124267578},{"id":"https://openalex.org/C2778938600","wikidata":"https://www.wikidata.org/wiki/Q389934","display_name":"Agonist","level":3,"score":0.12331268191337585},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.12052872776985168},{"id":"https://openalex.org/C159110408","wikidata":"https://www.wikidata.org/wiki/Q121176","display_name":"Nursing","level":1,"score":0.0}],"mesh":[],"locations_count":10,"locations":[{"id":"doi:10.1186/s13321-017-0249-4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-017-0249-4","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-017-0249-4","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:29290010","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29290010","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:www.repository.cam.ac.uk:1810/273809","is_oa":true,"landing_page_url":"https://www.repository.cam.ac.uk/handle/1810/273809","pdf_url":"https://www.repository.cam.ac.uk/handle/1810/273809","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":"","raw_type":"Article"},{"id":"pmh:oai:doaj.org/article:22928be776154a8498d39ac30cb7826f","is_oa":true,"landing_page_url":"https://doaj.org/article/22928be776154a8498d39ac30cb7826f","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":"Journal of Cheminformatics, Vol 9, Iss 1, Pp 1-19 (2017)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:4683730","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5748027","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Text"},{"id":"pmh:oai:minerva.usc.es:10347/19760","is_oa":true,"landing_page_url":"http://hdl.handle.net/10347/19760","pdf_url":null,"source":{"id":"https://openalex.org/S4306400376","display_name":"Repositorio institucional da Universidade de Santiago de Compostela (University of Santiago de Compostela)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I200284239","host_organization_name":"Universidade de Santiago de Compostela","host_organization_lineage":["https://openalex.org/I200284239"],"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":"","raw_type":"journal article"},{"id":"pmh:oai:spiral.imperial.ac.uk:10044/1/56544","is_oa":true,"landing_page_url":"http://hdl.handle.net/10044/1/56544","pdf_url":null,"source":null,"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Journal Article"},{"id":"pmh:oai:www.repository.cam.ac.uk:1810/270288","is_oa":true,"landing_page_url":"https://www.repository.cam.ac.uk/handle/1810/270288","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":"Journal Article"},{"id":"doi:10.17863/cam.17138","is_oa":true,"landing_page_url":"https://doi.org/10.17863/cam.17138","pdf_url":null,"source":{"id":"https://openalex.org/S7407050737","display_name":"Apollo","issn_l":null,"issn":[],"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":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"},{"id":"doi:10.17863/cam.20879","is_oa":true,"landing_page_url":"https://doi.org/10.17863/cam.20879","pdf_url":null,"source":{"id":"https://openalex.org/S7407050737","display_name":"Apollo","issn_l":null,"issn":[],"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","license_id":"https://openalex.org/licenses/cc-by","version":null,"is_accepted":false,"is_published":null,"raw_source_name":null,"raw_type":"article-journal"}],"best_oa_location":{"id":"doi:10.1186/s13321-017-0249-4","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-017-0249-4","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-017-0249-4","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":[],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2779854606.pdf","grobid_xml":"https://content.openalex.org/works/W2779854606.grobid-xml"},"referenced_works_count":77,"referenced_works":["https://openalex.org/W1551861","https://openalex.org/W1183385771","https://openalex.org/W1485382552","https://openalex.org/W1505933280","https://openalex.org/W1551550807","https://openalex.org/W1585339076","https://openalex.org/W1768480278","https://openalex.org/W1869829652","https://openalex.org/W1958282579","https://openalex.org/W1967889357","https://openalex.org/W1969601547","https://openalex.org/W1971849220","https://openalex.org/W1971868529","https://openalex.org/W1975740938","https://openalex.org/W1979019662","https://openalex.org/W1981433258","https://openalex.org/W1981561437","https://openalex.org/W1991286793","https://openalex.org/W1992080487","https://openalex.org/W1998570935","https://openalex.org/W1999318478","https://openalex.org/W2000820979","https://openalex.org/W2009423060","https://openalex.org/W2010530528","https://openalex.org/W2021750784","https://openalex.org/W2024044599","https://openalex.org/W2027423337","https://openalex.org/W2031168104","https://openalex.org/W2031723278","https://openalex.org/W2033269952","https://openalex.org/W2034475831","https://openalex.org/W2039399096","https://openalex.org/W2040369353","https://openalex.org/W2043509228","https://openalex.org/W2045722951","https://openalex.org/W2061587487","https://openalex.org/W2066407160","https://openalex.org/W2075140941","https://openalex.org/W2081196843","https://openalex.org/W2085122016","https://openalex.org/W2091815150","https://openalex.org/W2093060614","https://openalex.org/W2093575419","https://openalex.org/W2095373531","https://openalex.org/W2096541451","https://openalex.org/W2099768941","https://openalex.org/W2102491127","https://openalex.org/W2106882534","https://openalex.org/W2122085703","https://openalex.org/W2122807946","https://openalex.org/W2143593035","https://openalex.org/W2149369282","https://openalex.org/W2164240115","https://openalex.org/W2178451042","https://openalex.org/W2232279739","https://openalex.org/W2234295074","https://openalex.org/W2283677448","https://openalex.org/W2297158456","https://openalex.org/W2318527110","https://openalex.org/W2322666309","https://openalex.org/W2324421333","https://openalex.org/W2324927567","https://openalex.org/W2329781682","https://openalex.org/W2331956936","https://openalex.org/W2335201484","https://openalex.org/W2398669046","https://openalex.org/W2403652286","https://openalex.org/W2408071568","https://openalex.org/W2409227444","https://openalex.org/W2409464229","https://openalex.org/W2439566903","https://openalex.org/W2502501155","https://openalex.org/W2524120033","https://openalex.org/W2552043181","https://openalex.org/W2952254185","https://openalex.org/W4296843188","https://openalex.org/W4388251328"],"related_works":["https://openalex.org/W3084081748","https://openalex.org/W2001171263","https://openalex.org/W2116859828","https://openalex.org/W2067788315","https://openalex.org/W2014632472","https://openalex.org/W2010948496","https://openalex.org/W46339112","https://openalex.org/W3133722141","https://openalex.org/W4290380809","https://openalex.org/W2469340815"],"abstract_inverted_index":null,"counts_by_year":[{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":3},{"year":2018,"cited_by_count":5}],"updated_date":"2026-03-03T08:47:05.690250","created_date":"2025-10-10T00:00:00"}