{"id":"https://openalex.org/W1972100873","doi":"https://doi.org/10.1021/ci300515z","title":"Chemical Genomics Approach for GPCR\u2013Ligand Interaction Prediction and Extraction of Ligand Binding Determinants","display_name":"Chemical Genomics Approach for GPCR\u2013Ligand Interaction Prediction and Extraction of Ligand Binding Determinants","publication_year":2013,"publication_date":"2013-05-30","ids":{"openalex":"https://openalex.org/W1972100873","doi":"https://doi.org/10.1021/ci300515z","mag":"1972100873","pmid":"https://pubmed.ncbi.nlm.nih.gov/23721295"},"language":"en","primary_location":{"id":"doi:10.1021/ci300515z","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300515z","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","pubmed"],"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/A5040002011","display_name":"Akira Shiraishi","orcid":"https://orcid.org/0000-0003-3456-3074"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I25998863","display_name":"Kyoto Pharmaceutical University","ror":"https://ror.org/01ytgve10","country_code":"JP","type":"education","lineage":["https://openalex.org/I25998863"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Akira Shiraishi","raw_affiliation_strings":["Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","Department of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical Sciences, Kyoto University, Kyoto"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I25998863"]},{"raw_affiliation_string":"Department of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical Sciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I25998863"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5063578026","display_name":"Satoshi Niijima","orcid":null},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I25998863","display_name":"Kyoto Pharmaceutical University","ror":"https://ror.org/01ytgve10","country_code":"JP","type":"education","lineage":["https://openalex.org/I25998863"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Satoshi Niijima","raw_affiliation_strings":["Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I25998863"]},{"raw_affiliation_string":"Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5089294965","display_name":"J.B. Brown","orcid":null},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I25998863","display_name":"Kyoto Pharmaceutical University","ror":"https://ror.org/01ytgve10","country_code":"JP","type":"education","lineage":["https://openalex.org/I25998863"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"J. B. Brown","raw_affiliation_strings":["Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I25998863"]},{"raw_affiliation_string":"Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5091525968","display_name":"Masahiko Nakatsui","orcid":"https://orcid.org/0000-0001-6531-5220"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I25998863","display_name":"Kyoto Pharmaceutical University","ror":"https://ror.org/01ytgve10","country_code":"JP","type":"education","lineage":["https://openalex.org/I25998863"]}],"countries":["JP"],"is_corresponding":false,"raw_author_name":"Masahiko Nakatsui","raw_affiliation_strings":["Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I25998863"]},{"raw_affiliation_string":"Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5046211758","display_name":"Yasushi Okuno","orcid":"https://orcid.org/0000-0003-3596-4208"},"institutions":[{"id":"https://openalex.org/I22299242","display_name":"Kyoto University","ror":"https://ror.org/02kpeqv85","country_code":"JP","type":"education","lineage":["https://openalex.org/I22299242"]},{"id":"https://openalex.org/I25998863","display_name":"Kyoto Pharmaceutical University","ror":"https://ror.org/01ytgve10","country_code":"JP","type":"education","lineage":["https://openalex.org/I25998863"]}],"countries":["JP"],"is_corresponding":true,"raw_author_name":"Yasushi Okuno","raw_affiliation_strings":["Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department\rof Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical\rSciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242","https://openalex.org/I25998863"]},{"raw_affiliation_string":"Department#R#of Systems Biosciences for Drug Discovery, Graduate School of Pharmaceutical#R#Sciences, Kyoto University, Kyoto","institution_ids":["https://openalex.org/I22299242"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5046211758"],"corresponding_institution_ids":["https://openalex.org/I22299242","https://openalex.org/I25998863"],"apc_list":null,"apc_paid":null,"fwci":0.6879,"has_fulltext":false,"cited_by_count":20,"citation_normalized_percentile":{"value":0.680648,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"53","issue":"6","first_page":"1253","last_page":"1262"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9998999834060669,"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/T11178","display_name":"Receptor Mechanisms and Signaling","score":0.9998999834060669,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.9987000226974487,"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/T11016","display_name":"Monoclonal and Polyclonal Antibodies Research","score":0.9973000288009644,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.7015617489814758},{"id":"https://openalex.org/keywords/ligand","display_name":"Ligand (biochemistry)","score":0.6053368449211121},{"id":"https://openalex.org/keywords/genomics","display_name":"Genomics","score":0.5981813073158264},{"id":"https://openalex.org/keywords/g-protein-coupled-receptor","display_name":"G protein-coupled receptor","score":0.5770862102508545},{"id":"https://openalex.org/keywords/extraction","display_name":"Extraction (chemistry)","score":0.494340181350708},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.42761147022247314},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.3299291729927063},{"id":"https://openalex.org/keywords/receptor","display_name":"Receptor","score":0.23646509647369385},{"id":"https://openalex.org/keywords/genome","display_name":"Genome","score":0.22093084454536438},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.1943139135837555},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.11971378326416016},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.11121562123298645}],"concepts":[{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.7015617489814758},{"id":"https://openalex.org/C116569031","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Ligand (biochemistry)","level":3,"score":0.6053368449211121},{"id":"https://openalex.org/C189206191","wikidata":"https://www.wikidata.org/wiki/Q222046","display_name":"Genomics","level":4,"score":0.5981813073158264},{"id":"https://openalex.org/C135285700","wikidata":"https://www.wikidata.org/wiki/Q38173","display_name":"G protein-coupled receptor","level":3,"score":0.5770862102508545},{"id":"https://openalex.org/C4725764","wikidata":"https://www.wikidata.org/wiki/Q844704","display_name":"Extraction (chemistry)","level":2,"score":0.494340181350708},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.42761147022247314},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.3299291729927063},{"id":"https://openalex.org/C170493617","wikidata":"https://www.wikidata.org/wiki/Q208467","display_name":"Receptor","level":2,"score":0.23646509647369385},{"id":"https://openalex.org/C141231307","wikidata":"https://www.wikidata.org/wiki/Q7020","display_name":"Genome","level":3,"score":0.22093084454536438},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.1943139135837555},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.11971378326416016},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.11121562123298645}],"mesh":[{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001665","descriptor_name":"Binding Sites","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008024","descriptor_name":"Ligands","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008954","descriptor_name":"Models, Biological","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D023281","descriptor_name":"Genomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D023281","descriptor_name":"Genomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D023281","descriptor_name":"Genomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000378","qualifier_name":"metabolism","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D043562","descriptor_name":"Receptors, G-Protein-Coupled","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false}],"locations_count":2,"locations":[{"id":"doi:10.1021/ci300515z","is_oa":false,"landing_page_url":"https://doi.org/10.1021/ci300515z","pdf_url":null,"source":{"id":"https://openalex.org/S167262187","display_name":"Journal of Chemical Information and Modeling","issn_l":"1549-9596","issn":["1549-9596","1549-960X"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320006","host_organization_name":"American Chemical Society","host_organization_lineage":["https://openalex.org/P4310320006"],"host_organization_lineage_names":["American Chemical Society"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:23721295","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/23721295","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 chemical information and modeling","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[{"id":"https://openalex.org/F4320327845","display_name":"Ono Pharmaceutical","ror":"https://ror.org/022jefx64"},{"id":"https://openalex.org/F4320334764","display_name":"Japan Society for the Promotion of Science","ror":"https://ror.org/00hhkn466"}],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":69,"referenced_works":["https://openalex.org/W1510073064","https://openalex.org/W1596429464","https://openalex.org/W1908561802","https://openalex.org/W1969027187","https://openalex.org/W1974468894","https://openalex.org/W1975740938","https://openalex.org/W1979010452","https://openalex.org/W1979728801","https://openalex.org/W1983371169","https://openalex.org/W1986049071","https://openalex.org/W1986684432","https://openalex.org/W1988037271","https://openalex.org/W1999591184","https://openalex.org/W2014055152","https://openalex.org/W2014826286","https://openalex.org/W2015931265","https://openalex.org/W2020125455","https://openalex.org/W2024213882","https://openalex.org/W2025697787","https://openalex.org/W2025836226","https://openalex.org/W2031198307","https://openalex.org/W2032790231","https://openalex.org/W2035014358","https://openalex.org/W2035369931","https://openalex.org/W2038772855","https://openalex.org/W2042007894","https://openalex.org/W2042239308","https://openalex.org/W2047144511","https://openalex.org/W2052029379","https://openalex.org/W2053520403","https://openalex.org/W2060851522","https://openalex.org/W2062176518","https://openalex.org/W2065741725","https://openalex.org/W2066143642","https://openalex.org/W2078346619","https://openalex.org/W2083725367","https://openalex.org/W2090643737","https://openalex.org/W2093678457","https://openalex.org/W2097897519","https://openalex.org/W2100672820","https://openalex.org/W2100729071","https://openalex.org/W2100990314","https://openalex.org/W2104477830","https://openalex.org/W2104961861","https://openalex.org/W2106568208","https://openalex.org/W2114068014","https://openalex.org/W2117003397","https://openalex.org/W2121473111","https://openalex.org/W2124672828","https://openalex.org/W2127570942","https://openalex.org/W2129637200","https://openalex.org/W2136009931","https://openalex.org/W2137797563","https://openalex.org/W2138512826","https://openalex.org/W2140820106","https://openalex.org/W2145088375","https://openalex.org/W2148603752","https://openalex.org/W2148972970","https://openalex.org/W2149963584","https://openalex.org/W2152800101","https://openalex.org/W2152853006","https://openalex.org/W2157558738","https://openalex.org/W2157825442","https://openalex.org/W2159718916","https://openalex.org/W2166410137","https://openalex.org/W2170960297","https://openalex.org/W2215520647","https://openalex.org/W2441016847","https://openalex.org/W4249658209"],"related_works":["https://openalex.org/W2609050007","https://openalex.org/W3011298851","https://openalex.org/W4224216382","https://openalex.org/W3195483439","https://openalex.org/W2169619547","https://openalex.org/W2444295418","https://openalex.org/W416861399","https://openalex.org/W1570378576","https://openalex.org/W1566559296","https://openalex.org/W2053972265"],"abstract_inverted_index":{"Chemical":[0],"genomics":[1],"research":[2],"has":[3],"revealed":[4],"that":[5,17,60,71],"G-protein":[6],"coupled":[7],"receptors":[8],"(GPCRs)":[9],"interact":[10],"with":[11,29,74,144],"a":[12,18,56,86,104],"variety":[13],"of":[14,21,47,63,94,127,134,141,147],"ligands":[15,22],"and":[16,67],"large":[19,45],"number":[20],"are":[23,72],"known":[24],"to":[25,38,81,96,109],"bind":[26],"GPCRs":[27],"even":[28],"low":[30],"transmembrane":[31],"(TM)":[32],"sequence":[33],"similarity.":[34],"It":[35],"is":[36],"crucial":[37],"extract":[39],"informative":[40],"binding":[41],"region":[42],"propensities":[43],"from":[44],"quantities":[46],"bioactivity":[48],"data.":[49],"To":[50],"address":[51,91],"this":[52],"issue,":[53],"we":[54],"propose":[55],"machine":[57],"learning":[58],"approach":[59,106,124],"enables":[61],"identification":[62],"both":[64],"chemical":[65],"substructures":[66],"amino":[68],"acid":[69],"properties":[70],"associated":[73],"ligand":[75,83],"binding,":[76],"which":[77],"can":[78,125],"be":[79,126],"applied":[80],"virtual":[82],"screening":[84,133],"on":[85,103],"GPCR-wide":[87],"scale.":[88],"We":[89],"also":[90,138],"the":[92,145],"question":[93],"how":[95],"select":[97],"plausible":[98],"negative":[99],"noninteraction":[100],"pairs":[101],"based":[102],"statistical":[105],"in":[107],"order":[108],"develop":[110],"reliable":[111],"prediction":[112],"models":[113],"for":[114,132,139],"GPCR-ligand":[115],"interactions.":[116],"The":[117],"key":[118],"interaction":[119],"sites":[120],"estimated":[121],"by":[122],"our":[123],"great":[128],"use":[129],"not":[130],"only":[131],"active":[135,142],"compounds":[136,143],"but":[137],"modification":[140],"aim":[146],"improving":[148],"activity":[149],"or":[150],"selectivity.":[151]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":2},{"year":2022,"cited_by_count":1},{"year":2021,"cited_by_count":4},{"year":2019,"cited_by_count":2},{"year":2018,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2},{"year":2013,"cited_by_count":1}],"updated_date":"2026-07-22T07:51:19.307946","created_date":"2025-10-10T00:00:00"}