{"id":"https://openalex.org/W4385329973","doi":"https://doi.org/10.1093/bioinformatics/btad462","title":"Molecular property prediction by semantic-invariant contrastive learning","display_name":"Molecular property prediction by semantic-invariant contrastive learning","publication_year":2023,"publication_date":"2023-07-27","ids":{"openalex":"https://openalex.org/W4385329973","doi":"https://doi.org/10.1093/bioinformatics/btad462","pmid":"https://pubmed.ncbi.nlm.nih.gov/37505457"},"language":"en","primary_location":{"id":"doi:10.1093/bioinformatics/btad462","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btad462","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btad462/50997071/btad462.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btad462/50997071/btad462.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5103007849","display_name":"Ziqiao Zhang","orcid":"https://orcid.org/0000-0003-3747-7673"},"institutions":[{"id":"https://openalex.org/I24943067","display_name":"Fudan University","ror":"https://ror.org/013q1eq08","country_code":"CN","type":"education","lineage":["https://openalex.org/I24943067"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Ziqiao Zhang","raw_affiliation_strings":["Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University , Shanghai 200438, China","Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University, Shanghai, 200438, China"],"affiliations":[{"raw_affiliation_string":"Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University , Shanghai 200438, China","institution_ids":["https://openalex.org/I24943067"]},{"raw_affiliation_string":"Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University, Shanghai, 200438, China","institution_ids":["https://openalex.org/I24943067"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102751255","display_name":"Ailin Xie","orcid":"https://orcid.org/0009-0000-9001-4681"},"institutions":[{"id":"https://openalex.org/I24943067","display_name":"Fudan University","ror":"https://ror.org/013q1eq08","country_code":"CN","type":"education","lineage":["https://openalex.org/I24943067"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ailin Xie","raw_affiliation_strings":["Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University , Shanghai 200438, China","Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University, Shanghai, 200438, China"],"affiliations":[{"raw_affiliation_string":"Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University , Shanghai 200438, China","institution_ids":["https://openalex.org/I24943067"]},{"raw_affiliation_string":"Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University, Shanghai, 200438, China","institution_ids":["https://openalex.org/I24943067"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086316879","display_name":"Jihong Guan","orcid":"https://orcid.org/0000-0003-2313-7635"},"institutions":[{"id":"https://openalex.org/I116953780","display_name":"Tongji University","ror":"https://ror.org/03rc6as71","country_code":"CN","type":"education","lineage":["https://openalex.org/I116953780"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jihong Guan","raw_affiliation_strings":["Department of Computer Science and Technology, Tongji University , Shanghai 201804, China","Department of Computer Science and Technology, Tongji University, Shanghai, 201804, China"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science and Technology, Tongji University , Shanghai 201804, China","institution_ids":["https://openalex.org/I116953780"]},{"raw_affiliation_string":"Department of Computer Science and Technology, Tongji University, Shanghai, 201804, China","institution_ids":["https://openalex.org/I116953780"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5017862559","display_name":"Shuigeng Zhou","orcid":"https://orcid.org/0000-0002-1949-2768"},"institutions":[{"id":"https://openalex.org/I24943067","display_name":"Fudan University","ror":"https://ror.org/013q1eq08","country_code":"CN","type":"education","lineage":["https://openalex.org/I24943067"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shuigeng Zhou","raw_affiliation_strings":["Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University , Shanghai 200438, China","Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University, Shanghai, 200438, China"],"affiliations":[{"raw_affiliation_string":"Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University , Shanghai 200438, China","institution_ids":["https://openalex.org/I24943067"]},{"raw_affiliation_string":"Shanghai Key Lab of Intelligent Information Processing, and School of Computer Science, Fudan University, Shanghai, 200438, China","institution_ids":["https://openalex.org/I24943067"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":4,"corresponding_author_ids":["https://openalex.org/A5103007849"],"corresponding_institution_ids":["https://openalex.org/I24943067"],"apc_list":{"value":3618,"currency":"USD","value_usd":3618},"apc_paid":{"value":3618,"currency":"USD","value_usd":3618},"fwci":1.5597,"has_fulltext":true,"cited_by_count":8,"citation_normalized_percentile":{"value":0.85585316,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":99},"biblio":{"volume":"39","issue":"8","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":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":0.9994000196456909,"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":0.9739999771118164,"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":0.8171550631523132},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6169376373291016},{"id":"https://openalex.org/keywords/natural-language-processing","display_name":"Natural language processing","score":0.5419472455978394},{"id":"https://openalex.org/keywords/invariant","display_name":"Invariant (physics)","score":0.4932371973991394},{"id":"https://openalex.org/keywords/property","display_name":"Property (philosophy)","score":0.48318853974342346},{"id":"https://openalex.org/keywords/benchmark","display_name":"Benchmark (surveying)","score":0.48103219270706177},{"id":"https://openalex.org/keywords/fragment","display_name":"Fragment (logic)","score":0.47336551547050476},{"id":"https://openalex.org/keywords/semantic-similarity","display_name":"Semantic similarity","score":0.4713315963745117},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.42235806584358215},{"id":"https://openalex.org/keywords/theoretical-computer-science","display_name":"Theoretical computer science","score":0.3444904088973999},{"id":"https://openalex.org/keywords/algorithm","display_name":"Algorithm","score":0.20539799332618713},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.08924347162246704}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.8171550631523132},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6169376373291016},{"id":"https://openalex.org/C204321447","wikidata":"https://www.wikidata.org/wiki/Q30642","display_name":"Natural language processing","level":1,"score":0.5419472455978394},{"id":"https://openalex.org/C190470478","wikidata":"https://www.wikidata.org/wiki/Q2370229","display_name":"Invariant (physics)","level":2,"score":0.4932371973991394},{"id":"https://openalex.org/C189950617","wikidata":"https://www.wikidata.org/wiki/Q937228","display_name":"Property (philosophy)","level":2,"score":0.48318853974342346},{"id":"https://openalex.org/C185798385","wikidata":"https://www.wikidata.org/wiki/Q1161707","display_name":"Benchmark (surveying)","level":2,"score":0.48103219270706177},{"id":"https://openalex.org/C2776235265","wikidata":"https://www.wikidata.org/wiki/Q18392052","display_name":"Fragment (logic)","level":2,"score":0.47336551547050476},{"id":"https://openalex.org/C130318100","wikidata":"https://www.wikidata.org/wiki/Q2268914","display_name":"Semantic similarity","level":2,"score":0.4713315963745117},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.42235806584358215},{"id":"https://openalex.org/C80444323","wikidata":"https://www.wikidata.org/wiki/Q2878974","display_name":"Theoretical computer science","level":1,"score":0.3444904088973999},{"id":"https://openalex.org/C11413529","wikidata":"https://www.wikidata.org/wiki/Q8366","display_name":"Algorithm","level":1,"score":0.20539799332618713},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.08924347162246704},{"id":"https://openalex.org/C205649164","wikidata":"https://www.wikidata.org/wiki/Q1071","display_name":"Geography","level":0,"score":0.0},{"id":"https://openalex.org/C111472728","wikidata":"https://www.wikidata.org/wiki/Q9471","display_name":"Epistemology","level":1,"score":0.0},{"id":"https://openalex.org/C37914503","wikidata":"https://www.wikidata.org/wiki/Q156495","display_name":"Mathematical physics","level":1,"score":0.0},{"id":"https://openalex.org/C138885662","wikidata":"https://www.wikidata.org/wiki/Q5891","display_name":"Philosophy","level":0,"score":0.0},{"id":"https://openalex.org/C13280743","wikidata":"https://www.wikidata.org/wiki/Q131089","display_name":"Geodesy","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008958","descriptor_name":"Models, Molecular","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012660","descriptor_name":"Semantics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012660","descriptor_name":"Semantics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012660","descriptor_name":"Semantics","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D019985","descriptor_name":"Benchmarking","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bioinformatics/btad462","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btad462","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btad462/50997071/btad462.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},{"id":"pmid:37505457","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37505457","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":"Bioinformatics (Oxford, England)","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:10397537","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10397537","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10397537/pdf/btad462.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bioinformatics/btad462","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bioinformatics/btad462","pdf_url":"https://academic.oup.com/bioinformatics/advance-article-pdf/doi/10.1093/bioinformatics/btad462/50997071/btad462.pdf","source":{"id":"https://openalex.org/S52395412","display_name":"Bioinformatics","issn_l":"1367-4803","issn":["1367-4803","1367-4811"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310311648","host_organization_name":"Oxford University Press","host_organization_lineage":["https://openalex.org/P4310311648","https://openalex.org/P4310311647"],"host_organization_lineage_names":["Oxford University Press","University of Oxford"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"display_name":"Quality Education","id":"https://metadata.un.org/sdg/4","score":0.4099999964237213}],"awards":[{"id":"https://openalex.org/G1487418658","display_name":null,"funder_award_id":"61972100","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G2062780035","display_name":null,"funder_award_id":"62172300","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G2087396116","display_name":null,"funder_award_id":"China","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G3317480652","display_name":null,"funder_award_id":"Science","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G4839713446","display_name":null,"funder_award_id":"6197210","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5848258319","display_name":null,"funder_award_id":"0 and","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5994120800","display_name":null,"funder_award_id":"Natural","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W4385329973.pdf"},"referenced_works_count":22,"referenced_works":["https://openalex.org/W1975147762","https://openalex.org/W1988037271","https://openalex.org/W2344597831","https://openalex.org/W2558999090","https://openalex.org/W2565684601","https://openalex.org/W2594183968","https://openalex.org/W2777416523","https://openalex.org/W2964113829","https://openalex.org/W2968734407","https://openalex.org/W3035060554","https://openalex.org/W3094640617","https://openalex.org/W3095883070","https://openalex.org/W3097145107","https://openalex.org/W3114632476","https://openalex.org/W3137551757","https://openalex.org/W3165630607","https://openalex.org/W3211394146","https://openalex.org/W4214868967","https://openalex.org/W6685350579","https://openalex.org/W6779326418","https://openalex.org/W6784614190","https://openalex.org/W6804049574"],"related_works":["https://openalex.org/W1973480752","https://openalex.org/W2805502594","https://openalex.org/W4253208712","https://openalex.org/W1603677234","https://openalex.org/W3132641048","https://openalex.org/W2217679042","https://openalex.org/W2525971763","https://openalex.org/W2984753899","https://openalex.org/W2783178962","https://openalex.org/W1896179566"],"abstract_inverted_index":{"The":[0],"code":[1],"is":[2],"publicly":[3],"available":[4],"at":[5],"https://github.com/ZiqiaoZhang/FraSICL.":[6]},"counts_by_year":[{"year":2025,"cited_by_count":6},{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1}],"updated_date":"2026-04-18T07:56:08.524223","created_date":"2025-10-10T00:00:00"}