{"id":"https://openalex.org/W4389628846","doi":"https://doi.org/10.1093/bib/bbad451","title":"Multi-task bioassay pre-training for protein-ligand binding affinity prediction","display_name":"Multi-task bioassay pre-training for protein-ligand binding affinity prediction","publication_year":2023,"publication_date":"2023-11-22","ids":{"openalex":"https://openalex.org/W4389628846","doi":"https://doi.org/10.1093/bib/bbad451","pmid":"https://pubmed.ncbi.nlm.nih.gov/38084920"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbad451","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbad451","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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":"Briefings in Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"hybrid","oa_url":"https://doi.org/10.1093/bib/bbad451","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102976320","display_name":"Jiaxian Yan","orcid":"https://orcid.org/0009-0006-5610-2948"},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiaxian Yan","raw_affiliation_strings":["Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China , JinZhai Road, 230026, Anhui , China"],"affiliations":[{"raw_affiliation_string":"Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China , JinZhai Road, 230026, Anhui , China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5052352053","display_name":"Zhaofeng Ye","orcid":null},"institutions":[{"id":"https://openalex.org/I2250653659","display_name":"Tencent (China)","ror":"https://ror.org/00hhjss72","country_code":"CN","type":"company","lineage":["https://openalex.org/I2250653659"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhaofeng Ye","raw_affiliation_strings":["Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China"],"affiliations":[{"raw_affiliation_string":"Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China","institution_ids":["https://openalex.org/I2250653659"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5085127108","display_name":"Ziyi Yang","orcid":"https://orcid.org/0000-0002-3550-9283"},"institutions":[{"id":"https://openalex.org/I2250653659","display_name":"Tencent (China)","ror":"https://ror.org/00hhjss72","country_code":"CN","type":"company","lineage":["https://openalex.org/I2250653659"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Ziyi Yang","raw_affiliation_strings":["Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China"],"affiliations":[{"raw_affiliation_string":"Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China","institution_ids":["https://openalex.org/I2250653659"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103860397","display_name":"Chengqiang Lu","orcid":null},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Chengqiang Lu","raw_affiliation_strings":["Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China , JinZhai Road, 230026, Anhui , China"],"affiliations":[{"raw_affiliation_string":"Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China , JinZhai Road, 230026, Anhui , China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100757082","display_name":"Shengyu Zhang","orcid":"https://orcid.org/0000-0001-5907-2277"},"institutions":[{"id":"https://openalex.org/I2250653659","display_name":"Tencent (China)","ror":"https://ror.org/00hhjss72","country_code":"CN","type":"company","lineage":["https://openalex.org/I2250653659"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Shengyu Zhang","raw_affiliation_strings":["Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China"],"affiliations":[{"raw_affiliation_string":"Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China","institution_ids":["https://openalex.org/I2250653659"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5102875028","display_name":"Qi Liu","orcid":"https://orcid.org/0009-0002-3590-9364"},"institutions":[{"id":"https://openalex.org/I126520041","display_name":"University of Science and Technology of China","ror":"https://ror.org/04c4dkn09","country_code":"CN","type":"education","lineage":["https://openalex.org/I126520041","https://openalex.org/I19820366"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Qi Liu","raw_affiliation_strings":["Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China , JinZhai Road, 230026, Anhui , China"],"affiliations":[{"raw_affiliation_string":"Anhui Province Key Lab of Big Data Analysis and Application, University of Science and Technology of China , JinZhai Road, 230026, Anhui , China","institution_ids":["https://openalex.org/I126520041"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083333630","display_name":"Jiezhong Qiu","orcid":"https://orcid.org/0000-0001-9514-0708"},"institutions":[{"id":"https://openalex.org/I2250653659","display_name":"Tencent (China)","ror":"https://ror.org/00hhjss72","country_code":"CN","type":"company","lineage":["https://openalex.org/I2250653659"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Jiezhong Qiu","raw_affiliation_strings":["Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China"],"affiliations":[{"raw_affiliation_string":"Tencent Quantum Laboratory , Tencent, Shennan Road, 518057, Guangdong , China","institution_ids":["https://openalex.org/I2250653659"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":7,"corresponding_author_ids":["https://openalex.org/A5083333630","https://openalex.org/A5102875028"],"corresponding_institution_ids":["https://openalex.org/I126520041","https://openalex.org/I2250653659"],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":{"value":4011,"currency":"USD","value_usd":4011},"fwci":3.7274,"has_fulltext":true,"cited_by_count":19,"citation_normalized_percentile":{"value":0.94487039,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":97,"max":100},"biblio":{"volume":"25","issue":"1","first_page":null,"last_page":null},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"subfield":{"id":"https://openalex.org/subfields/1703","display_name":"Computational Theory and Mathematics"},"field":{"id":"https://openalex.org/fields/17","display_name":"Computer Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},"topics":[{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9993000030517578,"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/T10044","display_name":"Protein Structure and Dynamics","score":0.9979000091552734,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}},{"id":"https://openalex.org/T10911","display_name":"Chemical Synthesis and Analysis","score":0.9905999898910522,"subfield":{"id":"https://openalex.org/subfields/1312","display_name":"Molecular Biology"},"field":{"id":"https://openalex.org/fields/13","display_name":"Biochemistry, Genetics and Molecular Biology"},"domain":{"id":"https://openalex.org/domains/1","display_name":"Life Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/chembl","display_name":"chEMBL","score":0.9414098262786865},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6785094141960144},{"id":"https://openalex.org/keywords/task","display_name":"Task (project management)","score":0.5783635377883911},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.501197099685669},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4955383539199829},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.4878068268299103},{"id":"https://openalex.org/keywords/generalization","display_name":"Generalization","score":0.4506332278251648},{"id":"https://openalex.org/keywords/protein-ligand","display_name":"Protein ligand","score":0.4251786470413208},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.37130269408226013},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.36013251543045044},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.18452385067939758},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.18048593401908875},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14481854438781738},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.10849231481552124},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.09762057662010193},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.07923883199691772}],"concepts":[{"id":"https://openalex.org/C63222358","wikidata":"https://www.wikidata.org/wiki/Q6120337","display_name":"chEMBL","level":3,"score":0.9414098262786865},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6785094141960144},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.5783635377883911},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.501197099685669},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4955383539199829},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.4878068268299103},{"id":"https://openalex.org/C177148314","wikidata":"https://www.wikidata.org/wiki/Q170084","display_name":"Generalization","level":2,"score":0.4506332278251648},{"id":"https://openalex.org/C109095088","wikidata":"https://www.wikidata.org/wiki/Q899107","display_name":"Protein ligand","level":2,"score":0.4251786470413208},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.37130269408226013},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.36013251543045044},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.18452385067939758},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.18048593401908875},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14481854438781738},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.10849231481552124},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.09762057662010193},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.07923883199691772},{"id":"https://openalex.org/C134306372","wikidata":"https://www.wikidata.org/wiki/Q7754","display_name":"Mathematical analysis","level":1,"score":0.0},{"id":"https://openalex.org/C201995342","wikidata":"https://www.wikidata.org/wiki/Q682496","display_name":"Systems engineering","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000345","descriptor_name":"Affinity Labels","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000345","descriptor_name":"Affinity Labels","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000345","descriptor_name":"Affinity Labels","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000345","descriptor_name":"Affinity Labels","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000345","descriptor_name":"Affinity Labels","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000345","descriptor_name":"Affinity Labels","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000345","descriptor_name":"Affinity Labels","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":"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":"D008024","descriptor_name":"Ligands","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":"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":"D011485","descriptor_name":"Protein Binding","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D011506","descriptor_name":"Proteins","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":3,"locations":[{"id":"doi:10.1093/bib/bbad451","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbad451","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:38084920","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38084920","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":"Briefings in bioinformatics","raw_type":null},{"id":"pmh:oai:pubmedcentral.nih.gov:10783875","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10783875","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10783875/pdf/bbad451.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":"Brief Bioinform","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1093/bib/bbad451","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbad451","pdf_url":null,"source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"is_oa":false,"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":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G1121271761","display_name":null,"funder_award_id":"Program","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G2025695351","display_name":null,"funder_award_id":"62306290","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/G2802911279","display_name":null,"funder_award_id":"Young","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/G3424485895","display_name":null,"funder_award_id":"61922073","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G391238517","display_name":null,"funder_award_id":", 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"},{"id":"https://openalex.org/G7033253288","display_name":null,"funder_award_id":"Grants","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G7608752429","display_name":null,"funder_award_id":"Talent","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"}],"funders":[{"id":"https://openalex.org/F4320316083","display_name":"Tencent","ror":"https://ror.org/00hhjss72"},{"id":"https://openalex.org/F4320321001","display_name":"National Natural Science Foundation of China","ror":"https://ror.org/01h0zpd94"},{"id":"https://openalex.org/F4320322392","display_name":"Tsinghua University","ror":"https://ror.org/03cve4549"},{"id":"https://openalex.org/F4320322927","display_name":"Zhejiang University","ror":"https://ror.org/00a2xv884"},{"id":"https://openalex.org/F4320333688","display_name":"National Outstanding Youth Science Fund Project of National Natural Science Foundation of China","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":88,"referenced_works":["https://openalex.org/W959778778","https://openalex.org/W1605578858","https://openalex.org/W1992441011","https://openalex.org/W2000864931","https://openalex.org/W2003356525","https://openalex.org/W2012084558","https://openalex.org/W2025816743","https://openalex.org/W2028629022","https://openalex.org/W2047544230","https://openalex.org/W2050774715","https://openalex.org/W2071557543","https://openalex.org/W2092723276","https://openalex.org/W2096541451","https://openalex.org/W2096864392","https://openalex.org/W2100672820","https://openalex.org/W2118599489","https://openalex.org/W2128332459","https://openalex.org/W2132960309","https://openalex.org/W2134967712","https://openalex.org/W2143331230","https://openalex.org/W2148512505","https://openalex.org/W2149427297","https://openalex.org/W2152630148","https://openalex.org/W2167432060","https://openalex.org/W2169678694","https://openalex.org/W2471286324","https://openalex.org/W2509597016","https://openalex.org/W2587598315","https://openalex.org/W2767338541","https://openalex.org/W2781821160","https://openalex.org/W2784213390","https://openalex.org/W2911489562","https://openalex.org/W2949867299","https://openalex.org/W2968734407","https://openalex.org/W2969996838","https://openalex.org/W2974531988","https://openalex.org/W3005681871","https://openalex.org/W3007488165","https://openalex.org/W3015208165","https://openalex.org/W3021453944","https://openalex.org/W3028589594","https://openalex.org/W3080588469","https://openalex.org/W3082411326","https://openalex.org/W3087549734","https://openalex.org/W3089328091","https://openalex.org/W3096561213","https://openalex.org/W3098189759","https://openalex.org/W3098846260","https://openalex.org/W3135935512","https://openalex.org/W3167575787","https://openalex.org/W3177500196","https://openalex.org/W3177828909","https://openalex.org/W3207161423","https://openalex.org/W3209042722","https://openalex.org/W3212042276","https://openalex.org/W4200139236","https://openalex.org/W4213077304","https://openalex.org/W4220991280","https://openalex.org/W4221095602","https://openalex.org/W4221149947","https://openalex.org/W4280645315","https://openalex.org/W4281895096","https://openalex.org/W4283013935","https://openalex.org/W4284884072","https://openalex.org/W4290875097","https://openalex.org/W4308187210","https://openalex.org/W4308436127","https://openalex.org/W4316339986","https://openalex.org/W4318812463","https://openalex.org/W4319923818","https://openalex.org/W4321004126","https://openalex.org/W4367042263","https://openalex.org/W4377968189","https://openalex.org/W4380739447","https://openalex.org/W4385405823","https://openalex.org/W6631828510","https://openalex.org/W6636406500","https://openalex.org/W6677082149","https://openalex.org/W6745889004","https://openalex.org/W6774009640","https://openalex.org/W6783292247","https://openalex.org/W6795818755","https://openalex.org/W6809880626","https://openalex.org/W6810478175","https://openalex.org/W6838439631","https://openalex.org/W6839249140","https://openalex.org/W6840650562","https://openalex.org/W6850366273"],"related_works":["https://openalex.org/W3034301950","https://openalex.org/W4321254242","https://openalex.org/W2745013929","https://openalex.org/W4385760073","https://openalex.org/W1552948952","https://openalex.org/W2894906875","https://openalex.org/W4387345715","https://openalex.org/W1587822751","https://openalex.org/W2011432577","https://openalex.org/W3126502429"],"abstract_inverted_index":{"Protein-ligand":[0],"binding":[1,18,89],"affinity":[2,19,60,73,96,133,151,205],"(PLBA)":[3],"prediction":[4,97,148,193],"is":[5,50,55,202,217],"the":[6,22,38,44,84,92,147,163,185,190,196,203],"fundamental":[7],"task":[8],"in":[9,63],"drug":[10],"discovery.":[11],"Recently,":[12],"various":[13],"deep":[14],"learning-based":[15],"models":[16,49,98],"predict":[17],"by":[20],"incorporating":[21],"three-dimensional":[23],"(3D)":[24],"structure":[25],"of":[26,40,47,59,86,94,149,187,198],"protein-ligand":[27],"complexes":[28],"as":[29,67,71,153],"input":[30],"and":[31,83,135,156,169,180,208],"achieving":[32],"astounding":[33],"progress.":[34],"However,":[35],"due":[36],"to":[37,145],"scarcity":[39],"high-quality":[41],"training":[42],"data,":[43],"generalization":[45],"ability":[46],"current":[48],"still":[51],"limited.":[52],"Although":[53],"there":[54],"a":[56,113,122],"vast":[57],"amount":[58],"data":[61],"available":[62,87,219],"large-scale":[64],"databases":[65],"such":[66,70],"ChEMBL,":[68],"issues":[69],"inconsistent":[72],"measurement":[74],"labels":[75,134,152],"(i.e.":[76],"IC50,":[77],"Ki,":[78],"Kd),":[79],"different":[80,150,154],"experimental":[81],"conditions,":[82],"lack":[85],"3D":[88,139],"structures":[90],"complicate":[91],"development":[93],"high-precision":[95],"using":[99],"these":[100,104],"data.":[101],"To":[102,195],"address":[103],"issues,":[105],"we":[106],"(i)":[107],"propose":[108],"Multi-task":[109],"Bioassay":[110],"Pre-training":[111],"(MBP),":[112],"pre-training":[114,123,144,206],"framework":[115],"for":[116,212,220],"structure-based":[117,191],"PLBA":[118,192],"prediction;":[119],"(ii)":[120],"construct":[121],"dataset":[124,177],"called":[125],"ChEMBL-Dock":[126,176],"with":[127,178],"more":[128],"than":[129],"300k":[130],"experimentally":[131],"measured":[132],"about":[136],"2.8M":[137],"docked":[138],"structures.":[140],"By":[141],"introducing":[142],"multi-task":[143],"treat":[146],"tasks":[155],"classifying":[157],"relative":[158],"rankings":[159],"between":[160],"samples":[161],"from":[162,173],"same":[164],"bioassay,":[165],"MBP":[166,188,201,215],"learns":[167],"robust":[168],"transferrable":[170],"structural":[171],"knowledge":[172],"our":[174,199],"new":[175],"varied":[179],"noisy":[181],"labels.":[182],"Experiments":[183],"substantiate":[184],"capability":[186],"on":[189],"task.":[194],"best":[197],"knowledge,":[200],"first":[204],"model":[207],"shows":[209],"great":[210],"potential":[211],"future":[213],"development.":[214],"web-server":[216],"now":[218],"free":[221],"at:":[222],"https://huggingface.co/spaces/jiaxianustc/mbp.":[223]},"counts_by_year":[{"year":2026,"cited_by_count":2},{"year":2025,"cited_by_count":13},{"year":2024,"cited_by_count":4}],"updated_date":"2026-04-13T07:58:08.660418","created_date":"2025-10-10T00:00:00"}
