{"id":"https://openalex.org/W4392021329","doi":"https://doi.org/10.1093/bib/bbae008","title":"ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization","display_name":"ChemMORT: an automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization","publication_year":2024,"publication_date":"2024-01-22","ids":{"openalex":"https://openalex.org/W4392021329","doi":"https://doi.org/10.1093/bib/bbae008","pmid":"https://pubmed.ncbi.nlm.nih.gov/38385872"},"language":"en","primary_location":{"id":"doi:10.1093/bib/bbae008","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbae008","pdf_url":"https://academic.oup.com/bib/article-pdf/25/2/bbae008/56717004/bbae008.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"Briefings in 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/bib/article-pdf/25/2/bbae008/56717004/bbae008.pdf","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5066240587","display_name":"Jiacai Yi","orcid":"https://orcid.org/0000-0001-6823-1882"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]},{"id":"https://openalex.org/I170215575","display_name":"National University of Defense Technology","ror":"https://ror.org/05d2yfz11","country_code":"CN","type":"education","lineage":["https://openalex.org/I170215575"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jia-Cai Yi","raw_affiliation_strings":["School of Computer Science, National University of Defense Technology , Changsha 410073, Hunan , PR China","Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China"],"raw_orcid":"https://orcid.org/0000-0001-6823-1882","affiliations":[{"raw_affiliation_string":"School of Computer Science, National University of Defense Technology , Changsha 410073, Hunan , PR China","institution_ids":["https://openalex.org/I170215575"]},{"raw_affiliation_string":"Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China","institution_ids":["https://openalex.org/I139660479"]}]},{"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/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zi-Yi Yang","raw_affiliation_strings":["Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103149594","display_name":"Wentao Zhao","orcid":"https://orcid.org/0000-0002-2906-3238"},"institutions":[{"id":"https://openalex.org/I170215575","display_name":"National University of Defense Technology","ror":"https://ror.org/05d2yfz11","country_code":"CN","type":"education","lineage":["https://openalex.org/I170215575"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Wen-Tao Zhao","raw_affiliation_strings":["School of Computer Science, National University of Defense Technology , Changsha 410073, Hunan , PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Computer Science, National University of Defense Technology , Changsha 410073, Hunan , PR China","institution_ids":["https://openalex.org/I170215575"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5112896065","display_name":"Zhijiang Yang","orcid":null},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhi-Jiang Yang","raw_affiliation_strings":["Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China","institution_ids":["https://openalex.org/I139660479"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5075669612","display_name":"Xiao-Chen Zhang","orcid":"https://orcid.org/0000-0002-7187-435X"},"institutions":[{"id":"https://openalex.org/I170215575","display_name":"National University of Defense Technology","ror":"https://ror.org/05d2yfz11","country_code":"CN","type":"education","lineage":["https://openalex.org/I170215575"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiao-Chen Zhang","raw_affiliation_strings":["School of Computer Science, National University of Defense Technology , Changsha 410073, Hunan , PR China"],"raw_orcid":"https://orcid.org/0000-0002-7187-435X","affiliations":[{"raw_affiliation_string":"School of Computer Science, National University of Defense Technology , Changsha 410073, Hunan , PR China","institution_ids":["https://openalex.org/I170215575"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5054335730","display_name":"Chengkun Wu","orcid":"https://orcid.org/0000-0002-9688-5311"},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Cheng-Kun Wu","raw_affiliation_strings":["State Key Laboratory of High-Performance Computing , Changsha 410073, Hunan , PR China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of High-Performance Computing , Changsha 410073, Hunan , PR China","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5076594495","display_name":"Aiping L\u00fc","orcid":"https://orcid.org/0000-0002-2303-0494"},"institutions":[{"id":"https://openalex.org/I141568987","display_name":"Hong Kong Baptist University","ror":"https://ror.org/0145fw131","country_code":"HK","type":"education","lineage":["https://openalex.org/I141568987"]}],"countries":["HK"],"is_corresponding":false,"raw_author_name":"Ai-Ping Lu","raw_affiliation_strings":["Hong Kong Baptist University , School of Chinese Medicine, , Hong Kong SAR , P. R. China","Institute for Advancing Translational Medicine in Bone and Joint Diseases , School of Chinese Medicine, , Hong Kong SAR , P. R. China","Institute for Advancing Translational Medicine in Bone and Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong SAR, P. R. China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Hong Kong Baptist University , School of Chinese Medicine, , Hong Kong SAR , P. R. China","institution_ids":["https://openalex.org/I141568987"]},{"raw_affiliation_string":"Institute for Advancing Translational Medicine in Bone and Joint Diseases , School of Chinese Medicine, , Hong Kong SAR , P. R. China","institution_ids":["https://openalex.org/I141568987"]},{"raw_affiliation_string":"Institute for Advancing Translational Medicine in Bone and Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong SAR, P. R. China","institution_ids":["https://openalex.org/I141568987"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5083809384","display_name":"Dongsheng Cao","orcid":"https://orcid.org/0000-0003-3604-3785"},"institutions":[{"id":"https://openalex.org/I139660479","display_name":"Central South University","ror":"https://ror.org/00f1zfq44","country_code":"CN","type":"education","lineage":["https://openalex.org/I139660479"]},{"id":"https://openalex.org/I141568987","display_name":"Hong Kong Baptist University","ror":"https://ror.org/0145fw131","country_code":"HK","type":"education","lineage":["https://openalex.org/I141568987"]}],"countries":["CN","HK"],"is_corresponding":false,"raw_author_name":"Dong-Sheng Cao","raw_affiliation_strings":["Hong Kong Baptist University , School of Chinese Medicine, , Hong Kong SAR , P. R. China","Institute for Advancing Translational Medicine in Bone and Joint Diseases , School of Chinese Medicine, , Hong Kong SAR , P. R. China","Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China","Institute for Advancing Translational Medicine in Bone and Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong SAR, P. R. China"],"raw_orcid":"https://orcid.org/0000-0003-3604-3785","affiliations":[{"raw_affiliation_string":"Hong Kong Baptist University , School of Chinese Medicine, , Hong Kong SAR , P. R. China","institution_ids":["https://openalex.org/I141568987"]},{"raw_affiliation_string":"Institute for Advancing Translational Medicine in Bone and Joint Diseases , School of Chinese Medicine, , Hong Kong SAR , P. R. China","institution_ids":["https://openalex.org/I141568987"]},{"raw_affiliation_string":"Xiangya School of Pharmaceutical Sciences, Central South University , Changsha 410013, Hunan , P. R. China","institution_ids":["https://openalex.org/I139660479"]},{"raw_affiliation_string":"Institute for Advancing Translational Medicine in Bone and Joint Diseases, School of Chinese Medicine, Hong Kong Baptist University, Hong Kong SAR, P. R. China","institution_ids":["https://openalex.org/I141568987"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":4011,"currency":"USD","value_usd":4011},"apc_paid":{"value":4011,"currency":"USD","value_usd":4011},"fwci":6.3409,"has_fulltext":true,"cited_by_count":22,"citation_normalized_percentile":{"value":0.97069304,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":96,"max":100},"biblio":{"volume":"25","issue":"2","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":0.9997000098228455,"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":0.9997000098228455,"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":0.9822999835014343,"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/T11440","display_name":"Click Chemistry and Applications","score":0.9624000191688538,"subfield":{"id":"https://openalex.org/subfields/1605","display_name":"Organic Chemistry"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.7343729734420776},{"id":"https://openalex.org/keywords/particle-swarm-optimization","display_name":"Particle swarm optimization","score":0.571851372718811},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.544731855392456},{"id":"https://openalex.org/keywords/encoder","display_name":"Encoder","score":0.5297355055809021},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.42420023679733276},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.4001469612121582},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.331961989402771},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.24751004576683044},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.19472646713256836},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.07266786694526672}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7343729734420776},{"id":"https://openalex.org/C85617194","wikidata":"https://www.wikidata.org/wiki/Q2072794","display_name":"Particle swarm optimization","level":2,"score":0.571851372718811},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.544731855392456},{"id":"https://openalex.org/C118505674","wikidata":"https://www.wikidata.org/wiki/Q42586063","display_name":"Encoder","level":2,"score":0.5297355055809021},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.42420023679733276},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.4001469612121582},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.331961989402771},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.24751004576683044},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.19472646713256836},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.07266786694526672},{"id":"https://openalex.org/C111919701","wikidata":"https://www.wikidata.org/wiki/Q9135","display_name":"Operating system","level":1,"score":0.0},{"id":"https://openalex.org/C94625758","wikidata":"https://www.wikidata.org/wiki/Q7163","display_name":"Politics","level":2,"score":0.0},{"id":"https://openalex.org/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"score":0.0}],"mesh":[{"descriptor_ui":"D000067856","descriptor_name":"Poly(ADP-ribose) Polymerase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067856","descriptor_name":"Poly(ADP-ribose) Polymerase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067856","descriptor_name":"Poly(ADP-ribose) Polymerase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067856","descriptor_name":"Poly(ADP-ribose) Polymerase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000067856","descriptor_name":"Poly(ADP-ribose) Polymerase Inhibitors","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000076722","descriptor_name":"Drug Development","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000076722","descriptor_name":"Drug Development","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000076722","descriptor_name":"Drug Development","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000076722","descriptor_name":"Drug Development","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000076722","descriptor_name":"Drug Development","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D000077321","descriptor_name":"Deep Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"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":"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:10.1093/bib/bbae008","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbae008","pdf_url":"https://academic.oup.com/bib/article-pdf/25/2/bbae008/56717004/bbae008.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"Briefings in Bioinformatics","raw_type":"journal-article"},{"id":"pmid:38385872","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/38385872","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:10883642","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/10883642","pdf_url":"https://pmc.ncbi.nlm.nih.gov/articles/PMC10883642/pdf/bbae008.pdf","source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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/bbae008","is_oa":true,"landing_page_url":"https://doi.org/10.1093/bib/bbae008","pdf_url":"https://academic.oup.com/bib/article-pdf/25/2/bbae008/56717004/bbae008.pdf","source":{"id":"https://openalex.org/S91767247","display_name":"Briefings in Bioinformatics","issn_l":"1467-5463","issn":["1467-5463","1477-4054"],"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":"Briefings in Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being","score":0.7200000286102295}],"awards":[{"id":"https://openalex.org/G3602879582","display_name":null,"funder_award_id":"2022YFA1004303","funder_id":"https://openalex.org/F4320335777","funder_display_name":"National Key Research and Development Program of China"},{"id":"https://openalex.org/G7632230142","display_name":null,"funder_award_id":"22173118","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"},{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"pdf":true,"grobid_xml":false},"content_urls":{"pdf":"https://content.openalex.org/works/W4392021329.pdf"},"referenced_works_count":53,"referenced_works":["https://openalex.org/W1663154925","https://openalex.org/W1895993106","https://openalex.org/W1940529821","https://openalex.org/W1970360815","https://openalex.org/W1989129581","https://openalex.org/W2034549041","https://openalex.org/W2041686943","https://openalex.org/W2042007894","https://openalex.org/W2056156650","https://openalex.org/W2058879306","https://openalex.org/W2066273100","https://openalex.org/W2152195021","https://openalex.org/W2160592148","https://openalex.org/W2316253021","https://openalex.org/W2472990710","https://openalex.org/W2529996553","https://openalex.org/W2558999090","https://openalex.org/W2610807327","https://openalex.org/W2755026528","https://openalex.org/W2767891136","https://openalex.org/W2795314782","https://openalex.org/W2810023675","https://openalex.org/W2835938797","https://openalex.org/W2886791556","https://openalex.org/W2901476322","https://openalex.org/W2903133778","https://openalex.org/W2911869066","https://openalex.org/W2912328818","https://openalex.org/W2912355354","https://openalex.org/W2934840264","https://openalex.org/W2937307539","https://openalex.org/W2940242941","https://openalex.org/W2956961449","https://openalex.org/W2989052455","https://openalex.org/W2989615256","https://openalex.org/W2992586577","https://openalex.org/W2998075856","https://openalex.org/W3023204497","https://openalex.org/W3043809093","https://openalex.org/W3084144945","https://openalex.org/W3098269892","https://openalex.org/W3119425649","https://openalex.org/W3135324979","https://openalex.org/W3154258817","https://openalex.org/W3157265962","https://openalex.org/W3159637815","https://openalex.org/W3168436232","https://openalex.org/W3196214900","https://openalex.org/W4241677786","https://openalex.org/W4387440676","https://openalex.org/W6683799085","https://openalex.org/W6736749492","https://openalex.org/W6752800998"],"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":{"Drug":[0],"discovery":[1],"and":[2,7,27,66,83,115,130,154],"development":[3,37],"constitute":[4],"a":[5,13,47,74,127],"laborious":[6],"costly":[8],"undertaking.":[9],"The":[10,118,184],"success":[11],"of":[12,35,53,91,98,174,181,188,203],"drug":[14,36],"hinges":[15],"not":[16],"only":[17],"good":[18],"efficacy":[19],"but":[20],"also":[21],"acceptable":[22],"absorption,":[23],"distribution,":[24],"metabolism,":[25],"elimination,":[26],"toxicity":[28],"(ADMET)":[29],"properties.":[30],"Overall,":[31],"up":[32],"to":[33,61,136,141,165,199],"50%":[34],"failures":[38],"have":[39],"been":[40],"contributed":[41],"from":[42],"undesirable":[43,168],"ADMET":[44,55,93,169],"profiles.":[45],"As":[46],"multiple":[48,92],"parameter":[49],"objective,":[50],"the":[51,54,62,89,96,123,131,138,142,159,172,179,189,197,201],"optimization":[52,90,157,187],"properties":[56,170],"is":[57,86,134,194],"extremely":[58],"challenging":[59],"owing":[60],"vast":[63],"chemical":[64],"space":[65],"limited":[67],"human":[68],"expert":[69],"knowledge.":[70],"In":[71],"this":[72],"study,":[73],"freely":[75],"available":[76],"platform":[77],"called":[78],"Chemical":[79],"Molecular":[80,106,116,160],"Optimization,":[81],"Representation":[82],"Translation":[84],"(ChemMORT)":[85],"developed":[87],"for":[88],"endpoints":[94],"without":[95,171],"loss":[97,173],"potency":[99],"(https://cadd.nscc-tj.cn/deploy/chemmort/).":[100],"ChemMORT":[101],"contains":[102],"three":[103],"modules:":[104],"Simplified":[105],"Input":[107],"Line":[108],"Entry":[109],"System":[110],"(SMILES)":[111],"Encoder,":[112],"Descriptor":[113,132],"Decoder":[114,133],"Optimizer.":[117],"SMILES":[119],"Encoder":[120],"can":[121,162],"generate":[122],"molecular":[124,144,152],"representation":[125,140,153],"with":[126,146],"512-dimensional":[128],"vector,":[129],"able":[135],"translate":[137],"above":[139],"corresponding":[143],"structure":[145],"high":[147],"accuracy.":[148],"Based":[149],"on":[150],"reversible":[151],"particle":[155],"swarm":[156],"strategy,":[158],"Optimizer":[161],"be":[163],"used":[164],"effectively":[166],"optimize":[167],"bioactivity,":[175],"which":[176],"essentially":[177],"accomplishes":[178],"design":[180],"inverse":[182],"QSAR.":[183],"constrained":[185],"multi-objective":[186],"poly":[190],"(ADP-ribose)":[191],"polymerase-1":[192],"inhibitor":[193],"provided":[195],"as":[196],"case":[198],"explore":[200],"utility":[202],"ChemMORT.":[204]},"counts_by_year":[{"year":2026,"cited_by_count":10},{"year":2025,"cited_by_count":9},{"year":2024,"cited_by_count":3}],"updated_date":"2026-05-21T06:26:12.895304","created_date":"2025-10-10T00:00:00"}
