{"id":"https://openalex.org/W4220980941","doi":"https://doi.org/10.1016/j.patcog.2022.108659","title":"Molecular substructure graph attention network for molecular property identification in drug discovery","display_name":"Molecular substructure graph attention network for molecular property identification in drug discovery","publication_year":2022,"publication_date":"2022-03-17","ids":{"openalex":"https://openalex.org/W4220980941","doi":"https://doi.org/10.1016/j.patcog.2022.108659"},"language":"en","primary_location":{"id":"doi:10.1016/j.patcog.2022.108659","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.patcog.2022.108659","pdf_url":null,"source":{"id":"https://openalex.org/S414566","display_name":"Pattern Recognition","issn_l":"0031-3203","issn":["0031-3203","1873-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Pattern Recognition","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/A5014464797","display_name":"Xian-bin Ye","orcid":null},"institutions":[{"id":"https://openalex.org/I159948400","display_name":"Jinan University","ror":"https://ror.org/02xe5ns62","country_code":"CN","type":"education","lineage":["https://openalex.org/I159948400"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xian-bin Ye","raw_affiliation_strings":["Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China","institution_ids":["https://openalex.org/I159948400"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5084935157","display_name":"Quanlong Guan","orcid":"https://orcid.org/0000-0001-6911-3853"},"institutions":[{"id":"https://openalex.org/I159948400","display_name":"Jinan University","ror":"https://ror.org/02xe5ns62","country_code":"CN","type":"education","lineage":["https://openalex.org/I159948400"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Quanlong Guan","raw_affiliation_strings":["Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China","Guangdong Institute of Smart Education, Jinan University, Guangzhou 510632, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China","institution_ids":["https://openalex.org/I159948400"]},{"raw_affiliation_string":"Guangdong Institute of Smart Education, Jinan University, Guangzhou 510632, China","institution_ids":["https://openalex.org/I159948400"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5012798405","display_name":"Weiqi Luo","orcid":"https://orcid.org/0000-0001-5605-7397"},"institutions":[{"id":"https://openalex.org/I159948400","display_name":"Jinan University","ror":"https://ror.org/02xe5ns62","country_code":"CN","type":"education","lineage":["https://openalex.org/I159948400"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Weiqi Luo","raw_affiliation_strings":["Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China","Guangdong Institute of Smart Education, Jinan University, Guangzhou 510632, China"],"raw_orcid":"https://orcid.org/0000-0001-5605-7397","affiliations":[{"raw_affiliation_string":"Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China","institution_ids":["https://openalex.org/I159948400"]},{"raw_affiliation_string":"Guangdong Institute of Smart Education, Jinan University, Guangzhou 510632, China","institution_ids":["https://openalex.org/I159948400"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5067489790","display_name":"Liangda Fang","orcid":"https://orcid.org/0000-0002-6435-6570"},"institutions":[{"id":"https://openalex.org/I159948400","display_name":"Jinan University","ror":"https://ror.org/02xe5ns62","country_code":"CN","type":"education","lineage":["https://openalex.org/I159948400"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Liangda Fang","raw_affiliation_strings":["Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Computer Science, College of Information Science and Technology, Jinan University, Guangzhou 510632, China","institution_ids":["https://openalex.org/I159948400"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052469496","display_name":"Zhao\u2010Rong Lai","orcid":"https://orcid.org/0000-0002-7631-8512"},"institutions":[{"id":"https://openalex.org/I159948400","display_name":"Jinan University","ror":"https://ror.org/02xe5ns62","country_code":"CN","type":"education","lineage":["https://openalex.org/I159948400"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Zhao-Rong Lai","raw_affiliation_strings":["Department of Mathematics, College of Information Science and Technology, Jinan University, Guangzhou 510632, China"],"raw_orcid":"https://orcid.org/0000-0002-7631-8512","affiliations":[{"raw_affiliation_string":"Department of Mathematics, College of Information Science and Technology, Jinan University, Guangzhou 510632, China","institution_ids":["https://openalex.org/I159948400"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5100384782","display_name":"Jun Wang","orcid":"https://orcid.org/0000-0002-6710-9823"},"institutions":[{"id":"https://openalex.org/I4210164898","display_name":"Beijing Chaoyang Emergency Medical Center","ror":"https://ror.org/05anb7a53","country_code":"CN","type":"healthcare","lineage":["https://openalex.org/I4210164898"]},{"id":"https://openalex.org/I4401726822","display_name":"Ping An (China)","ror":"https://ror.org/004yv2z91","country_code":null,"type":"company","lineage":["https://openalex.org/I4401726822"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jun Wang","raw_affiliation_strings":["Ping An Healthcare Technology, Chaoyang, Beijing 100027, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Ping An Healthcare Technology, Chaoyang, Beijing 100027, China","institution_ids":["https://openalex.org/I4210164898","https://openalex.org/I4401726822"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":6,"corresponding_author_ids":["https://openalex.org/A5052469496"],"corresponding_institution_ids":["https://openalex.org/I159948400"],"apc_list":{"value":2710,"currency":"USD","value_usd":2710},"apc_paid":null,"fwci":6.6372,"has_fulltext":false,"cited_by_count":55,"citation_normalized_percentile":{"value":0.97316656,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":99,"max":100},"biblio":{"volume":"128","issue":null,"first_page":"108659","last_page":"108659"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":1.0,"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":1.0,"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9986000061035156,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.967199981212616,"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/computer-science","display_name":"Computer science","score":0.6518261432647705},{"id":"https://openalex.org/keywords/chembl","display_name":"chEMBL","score":0.6031402349472046},{"id":"https://openalex.org/keywords/substructure","display_name":"Substructure","score":0.5853734016418457},{"id":"https://openalex.org/keywords/graph","display_name":"Graph","score":0.5026423931121826},{"id":"https://openalex.org/keywords/molecular-graph","display_name":"Molecular graph","score":0.4624597728252411},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.4261970520019531},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.4217081069946289},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.41528111696243286},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.358421266078949},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.2742384076118469},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.14105260372161865},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.10002624988555908}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6518261432647705},{"id":"https://openalex.org/C63222358","wikidata":"https://www.wikidata.org/wiki/Q6120337","display_name":"chEMBL","level":3,"score":0.6031402349472046},{"id":"https://openalex.org/C99679407","wikidata":"https://www.wikidata.org/wiki/Q56761637","display_name":"Substructure","level":2,"score":0.5853734016418457},{"id":"https://openalex.org/C132525143","wikidata":"https://www.wikidata.org/wiki/Q141488","display_name":"Graph","level":2,"score":0.5026423931121826},{"id":"https://openalex.org/C2780022179","wikidata":"https://www.wikidata.org/wiki/Q1986794","display_name":"Molecular graph","level":3,"score":0.4624597728252411},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.4261970520019531},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.4217081069946289},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.41528111696243286},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.358421266078949},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.2742384076118469},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.14105260372161865},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.10002624988555908},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.0},{"id":"https://openalex.org/C66938386","wikidata":"https://www.wikidata.org/wiki/Q633538","display_name":"Structural engineering","level":1,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1016/j.patcog.2022.108659","is_oa":false,"landing_page_url":"https://doi.org/10.1016/j.patcog.2022.108659","pdf_url":null,"source":{"id":"https://openalex.org/S414566","display_name":"Pattern Recognition","issn_l":"0031-3203","issn":["0031-3203","1873-5142"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310320990","host_organization_name":"Elsevier BV","host_organization_lineage":["https://openalex.org/P4310320990"],"host_organization_lineage_names":["Elsevier BV"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Pattern Recognition","raw_type":"journal-article"}],"best_oa_location":null,"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","score":0.7699999809265137,"display_name":"Good health and well-being"}],"awards":[],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":43,"referenced_works":["https://openalex.org/W569478347","https://openalex.org/W1583837637","https://openalex.org/W1595350250","https://openalex.org/W1975147762","https://openalex.org/W1987971958","https://openalex.org/W1988037271","https://openalex.org/W1996327711","https://openalex.org/W1999798000","https://openalex.org/W2016979469","https://openalex.org/W2021748110","https://openalex.org/W2064675550","https://openalex.org/W2096541451","https://openalex.org/W2290847742","https://openalex.org/W2567534979","https://openalex.org/W2593390416","https://openalex.org/W2594183968","https://openalex.org/W2740946158","https://openalex.org/W2790808809","https://openalex.org/W2803587386","https://openalex.org/W2889326414","https://openalex.org/W2912500072","https://openalex.org/W2913059114","https://openalex.org/W2914584698","https://openalex.org/W2923682152","https://openalex.org/W2948035163","https://openalex.org/W2951934944","https://openalex.org/W2954284176","https://openalex.org/W2968734407","https://openalex.org/W2985111225","https://openalex.org/W3000953558","https://openalex.org/W3100157108","https://openalex.org/W3134426364","https://openalex.org/W3137551757","https://openalex.org/W4206097006","https://openalex.org/W6600234944","https://openalex.org/W6604896550","https://openalex.org/W6631943919","https://openalex.org/W6678631523","https://openalex.org/W6685350579","https://openalex.org/W6713582119","https://openalex.org/W6726873649","https://openalex.org/W6736685754","https://openalex.org/W6747927160"],"related_works":["https://openalex.org/W2800402488","https://openalex.org/W2155478691","https://openalex.org/W3005441379","https://openalex.org/W3153444835","https://openalex.org/W1552948952","https://openalex.org/W2153916713","https://openalex.org/W2023846184","https://openalex.org/W4306815992","https://openalex.org/W2013842271","https://openalex.org/W2808877228"],"abstract_inverted_index":null,"counts_by_year":[{"year":2026,"cited_by_count":11},{"year":2025,"cited_by_count":20},{"year":2024,"cited_by_count":16},{"year":2023,"cited_by_count":8}],"updated_date":"2025-11-06T03:46:38.306776","created_date":"2025-10-10T00:00:00"}
