{"id":"https://openalex.org/W4382182163","doi":"https://doi.org/10.1021/acs.jcim.3c00536","title":"Transformer-Based Molecular Generative Model for Antiviral Drug Design","display_name":"Transformer-Based Molecular Generative Model for Antiviral Drug Design","publication_year":2023,"publication_date":"2023-06-27","ids":{"openalex":"https://openalex.org/W4382182163","doi":"https://doi.org/10.1021/acs.jcim.3c00536","pmid":"https://pubmed.ncbi.nlm.nih.gov/37366644"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.3c00536","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00536","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00536","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","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":true,"oa_status":"hybrid","oa_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00536","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5086116475","display_name":"Jiashun Mao","orcid":"https://orcid.org/0000-0002-3545-354X"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Jiashun Mao","raw_affiliation_strings":["The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100373521","display_name":"Jianmin Wang","orcid":"https://orcid.org/0000-0001-8910-0929"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Jianmin Wang","raw_affiliation_strings":["The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5070737437","display_name":"Amir Zeb","orcid":"https://orcid.org/0000-0002-7232-574X"},"institutions":[{"id":"https://openalex.org/I20561161","display_name":"University of Balochistan","ror":"https://ror.org/04bf33n91","country_code":"PK","type":"education","lineage":["https://openalex.org/I20561161"]}],"countries":["PK"],"is_corresponding":false,"raw_author_name":"Amir Zeb","raw_affiliation_strings":["Faculty of Natural and Basic Sciences, University of Turbat, Balochistan 92600, Pakistan"],"affiliations":[{"raw_affiliation_string":"Faculty of Natural and Basic Sciences, University of Turbat, Balochistan 92600, Pakistan","institution_ids":["https://openalex.org/I20561161"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5017867723","display_name":"Kwang\u2010Hwi Cho","orcid":"https://orcid.org/0000-0001-6064-7680"},"institutions":[{"id":"https://openalex.org/I141371507","display_name":"Soongsil University","ror":"https://ror.org/017xnm587","country_code":"KR","type":"education","lineage":["https://openalex.org/I141371507"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Kwang-Hwi Cho","raw_affiliation_strings":["School of Systems Biomedical Science, Soongsil University, Seoul 06978, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"School of Systems Biomedical Science, Soongsil University, Seoul 06978, Republic of Korea","institution_ids":["https://openalex.org/I141371507"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100379980","display_name":"Haiyan Jin","orcid":"https://orcid.org/0009-0001-8745-3648"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Haiyan Jin","raw_affiliation_strings":["The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100654375","display_name":"Jongwan Kim","orcid":"https://orcid.org/0000-0003-1909-584X"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Jongwan Kim","raw_affiliation_strings":["Bioinformatics and Molecular Design Research Center (BMDRC), Incheon 21983, Republic of Korea","Department of Biotechnology, Yonsei University, Seoul 03722, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"Bioinformatics and Molecular Design Research Center (BMDRC), Incheon 21983, Republic of Korea","institution_ids":[]},{"raw_affiliation_string":"Department of Biotechnology, Yonsei University, Seoul 03722, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5039415407","display_name":"Onju Lee","orcid":null},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Onju Lee","raw_affiliation_strings":["The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5100714797","display_name":"Yunyun Wang","orcid":"https://orcid.org/0000-0002-0102-9898"},"institutions":[{"id":"https://openalex.org/I199305430","display_name":"Nantong University","ror":"https://ror.org/02afcvw97","country_code":"CN","type":"education","lineage":["https://openalex.org/I199305430"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yunyun Wang","raw_affiliation_strings":["School of Pharmacy and Jiangsu Province Key Laboratory for Inflammation and Molecular Drug Target, Nantong University, Nantong 226001, Jiangsu, P. R. China"],"affiliations":[{"raw_affiliation_string":"School of Pharmacy and Jiangsu Province Key Laboratory for Inflammation and Molecular Drug Target, Nantong University, Nantong 226001, Jiangsu, P. R. China","institution_ids":["https://openalex.org/I199305430"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5055744835","display_name":"Kyoung Tai No","orcid":"https://orcid.org/0000-0003-3187-8193"},"institutions":[{"id":"https://openalex.org/I193775966","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96","country_code":"KR","type":"education","lineage":["https://openalex.org/I193775966"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Kyoung Tai No","raw_affiliation_strings":["The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea"],"affiliations":[{"raw_affiliation_string":"The Interdisciplinary Graduate Program in Integrative Biotechnology and Translational Medicine, Yonsei University, Incheon 21983, Republic of Korea","institution_ids":["https://openalex.org/I193775966"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":9,"corresponding_author_ids":["https://openalex.org/A5055744835","https://openalex.org/A5086116475","https://openalex.org/A5100714797"],"corresponding_institution_ids":["https://openalex.org/I193775966","https://openalex.org/I199305430"],"apc_list":null,"apc_paid":null,"fwci":13.0741,"has_fulltext":false,"cited_by_count":66,"citation_normalized_percentile":{"value":0.99087062,"is_in_top_1_percent":true,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":90,"max":100},"biblio":{"volume":"64","issue":"7","first_page":"2733","last_page":"2745"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9998000264167786,"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":0.9998000264167786,"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/T12576","display_name":"vaccines and immunoinformatics approaches","score":0.9685999751091003,"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/T10521","display_name":"RNA and protein synthesis mechanisms","score":0.9672999978065491,"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/chemical-space","display_name":"Chemical space","score":0.6132134795188904},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5950371623039246},{"id":"https://openalex.org/keywords/readability","display_name":"Readability","score":0.4860875904560089},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.3650496304035187},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.341352641582489},{"id":"https://openalex.org/keywords/computational-biology","display_name":"Computational biology","score":0.34118154644966125},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.23905342817306519},{"id":"https://openalex.org/keywords/programming-language","display_name":"Programming language","score":0.2124491035938263},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.14279553294181824},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10647597908973694}],"concepts":[{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.6132134795188904},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5950371623039246},{"id":"https://openalex.org/C2778143727","wikidata":"https://www.wikidata.org/wiki/Q1820650","display_name":"Readability","level":2,"score":0.4860875904560089},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.3650496304035187},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.341352641582489},{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.34118154644966125},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.23905342817306519},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.2124491035938263},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.14279553294181824},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10647597908973694}],"mesh":[{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000086382","descriptor_name":"COVID-19","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D000998","descriptor_name":"Antiviral Agents","qualifier_ui":"Q000737","qualifier_name":"chemistry","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":"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":"D006801","descriptor_name":"Humans","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":"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":"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":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D015195","descriptor_name":"Drug Design","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":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055808","descriptor_name":"Drug Discovery","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":3,"locations":[{"id":"doi:10.1021/acs.jcim.3c00536","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00536","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00536","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:37366644","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/37366644","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},{"id":"pmh:oai:pubmedcentral.nih.gov:11005037","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/11005037","pdf_url":null,"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-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"J Chem Inf Model","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1021/acs.jcim.3c00536","is_oa":true,"landing_page_url":"https://doi.org/10.1021/acs.jcim.3c00536","pdf_url":"https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c00536","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":"cc-by-nc-nd","license_id":"https://openalex.org/licenses/cc-by-nc-nd","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},"sustainable_development_goals":[{"score":0.6899999976158142,"id":"https://metadata.un.org/sdg/4","display_name":"Quality Education"}],"awards":[{"id":"https://openalex.org/G6238612718","display_name":null,"funder_award_id":"P0014714","funder_id":"https://openalex.org/F4320321314","funder_display_name":"Yonsei University"}],"funders":[{"id":"https://openalex.org/F4320321314","display_name":"Yonsei University","ror":"https://ror.org/01wjejq96"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W4382182163.pdf","grobid_xml":"https://content.openalex.org/works/W4382182163.grobid-xml"},"referenced_works_count":56,"referenced_works":["https://openalex.org/W1985588649","https://openalex.org/W2011006965","https://openalex.org/W2017436619","https://openalex.org/W2029043718","https://openalex.org/W2031168104","https://openalex.org/W2034549041","https://openalex.org/W2066273100","https://openalex.org/W2123484635","https://openalex.org/W2142501479","https://openalex.org/W2160592148","https://openalex.org/W2177317049","https://openalex.org/W2346011148","https://openalex.org/W2410066853","https://openalex.org/W2610148085","https://openalex.org/W2612690371","https://openalex.org/W2761147619","https://openalex.org/W2798613236","https://openalex.org/W2887447356","https://openalex.org/W2963341956","https://openalex.org/W2964121744","https://openalex.org/W2979826702","https://openalex.org/W2991736596","https://openalex.org/W2998571806","https://openalex.org/W3020300207","https://openalex.org/W3094560806","https://openalex.org/W3106536628","https://openalex.org/W3116865743","https://openalex.org/W3136190261","https://openalex.org/W3157554109","https://openalex.org/W3158535672","https://openalex.org/W3171186158","https://openalex.org/W3186326839","https://openalex.org/W3187183050","https://openalex.org/W3192713004","https://openalex.org/W3194210660","https://openalex.org/W3195161349","https://openalex.org/W3198294617","https://openalex.org/W3207637421","https://openalex.org/W3209056694","https://openalex.org/W4205454839","https://openalex.org/W4206634366","https://openalex.org/W4210742602","https://openalex.org/W4212774754","https://openalex.org/W4213311005","https://openalex.org/W4221062742","https://openalex.org/W4224884862","https://openalex.org/W4226385924","https://openalex.org/W4230386810","https://openalex.org/W4285387016","https://openalex.org/W4290672950","https://openalex.org/W4294024451","https://openalex.org/W4297951436","https://openalex.org/W4317470261","https://openalex.org/W4323650483","https://openalex.org/W4366823175","https://openalex.org/W4377096651"],"related_works":["https://openalex.org/W2973074952","https://openalex.org/W4283395020","https://openalex.org/W4320732452","https://openalex.org/W135095951","https://openalex.org/W4286980196","https://openalex.org/W4385588199","https://openalex.org/W3199987505","https://openalex.org/W4385760073","https://openalex.org/W2600435468","https://openalex.org/W2324927567"],"abstract_inverted_index":{"Since":[0],"the":[1,12,31,84,92,102,110,138,156,172,192,197,208],"Simplified":[2],"Molecular":[3],"Input":[4],"Line":[5],"Entry":[6],"System":[7],"(SMILES)":[8],"is":[9,18,30,37,74,107,152],"oriented":[10],"to":[11,33,53,78,109,129,155,190],"atomic-level":[13],"representation":[14],"of":[15,23,42,63,88,95,114,143,161,176,194,199,210],"molecules":[16,57,136],"and":[17,26,36,45,58,80,133,165,174,178,185,213,216],"not":[19],"friendly":[20,39],"in":[21,40,159,171,196],"terms":[22,41,160],"human":[24],"readability":[25,44],"editable,":[27],"however,":[28],"IUPAC":[29,52,89],"closest":[32],"natural":[34],"language":[35],"very":[38],"human-oriented":[43],"performing":[46],"molecular":[47,61,112],"editing,":[48],"we":[49,118,202,227],"can":[50],"manipulate":[51],"generate":[54],"corresponding":[55],"new":[56],"produce":[59],"programming-friendly":[60],"forms":[62],"SMILES.":[64],"In":[65],"addition,":[66],"antiviral":[67,144,200,233],"drug":[68,72,234],"design,":[69,73],"especially":[70],"analogue-based":[71],"also":[75],"more":[76],"appropriate":[77],"edit":[79],"design":[81,113,142,173,198,209],"directly":[82],"from":[83,91],"functional":[85],"group":[86,104],"level":[87,94],"than":[90],"atomic":[93],"SMILES,":[96],"since":[97],"designing":[98],"analogues":[99,180,212,215],"involves":[100],"altering":[101],"R":[103],"only,":[105],"which":[106],"closer":[108],"knowledge-based":[111],"a":[115,120],"chemist.":[116],"Herein,":[117],"present":[119],"novel":[121],"data-driven":[122],"self-supervised":[123],"pretraining":[124],"generative":[125],"model":[126],"called":[127],"\"TransAntivirus\"":[128],"make":[130],"select-and-replace":[131],"edits":[132],"convert":[134],"organic":[135],"into":[137],"desired":[139],"properties":[140],"for":[141,231],"candidate":[145,219],"analogues.":[146],"The":[147],"results":[148],"indicated":[149],"that":[150],"TransAntivirus":[151,167,195],"significantly":[153],"superior":[154],"control":[157],"models":[158],"novelty,":[162],"validity,":[163],"uniqueness,":[164],"diversity.":[166],"showed":[168],"excellent":[169],"performance":[170],"optimization":[175],"nucleoside":[177,211],"non-nucleoside":[179,214],"by":[181],"chemical":[182],"space":[183],"analysis":[184],"property":[186],"prediction":[187],"analysis.":[188],"Furthermore,":[189],"validate":[191],"applicability":[193],"drugs,":[201],"conducted":[203],"two":[204],"case":[205],"studies":[206],"on":[207],"screened":[217],"four":[218],"lead":[220],"compounds":[221],"against":[222],"anticoronavirus":[223],"disease":[224],"(COVID-19).":[225],"Finally,":[226],"recommend":[228],"this":[229],"framework":[230],"accelerating":[232],"discovery.":[235]},"counts_by_year":[{"year":2026,"cited_by_count":10},{"year":2025,"cited_by_count":27},{"year":2024,"cited_by_count":28},{"year":2023,"cited_by_count":1}],"updated_date":"2026-03-27T05:58:40.876381","created_date":"2025-10-10T00:00:00"}