{"id":"https://openalex.org/W7137186254","doi":"https://doi.org/10.1021/acs.jcim.6c00322","title":"Enhancing Retrosynthesis Prediction with Distillation Learning","display_name":"Enhancing Retrosynthesis Prediction with Distillation Learning","publication_year":2026,"publication_date":"2026-03-16","ids":{"openalex":"https://openalex.org/W7137186254","doi":"https://doi.org/10.1021/acs.jcim.6c00322","pmid":"https://pubmed.ncbi.nlm.nih.gov/41834663"},"language":"en","primary_location":{"id":"doi:10.1021/acs.jcim.6c00322","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.6c00322","pdf_url":null,"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":null,"license_id":null,"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":false,"oa_status":"closed","oa_url":null,"any_repository_has_fulltext":false},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5129428002","display_name":"Yiping Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]},{"id":"https://openalex.org/I4210138309","display_name":"Center for Innovation","ror":"https://ror.org/04c1v2b17","country_code":"US","type":"facility","lineage":["https://openalex.org/I1322918889","https://openalex.org/I2799886695","https://openalex.org/I4210089489","https://openalex.org/I4210138309"]}],"countries":["CN","US"],"is_corresponding":true,"raw_author_name":"Yiping Liu","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University","Yuelushan Center for Industrial Innovation"],"raw_orcid":"https://orcid.org/0000-0001-7340-2551","affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]},{"raw_affiliation_string":"Yuelushan Center for Industrial Innovation","institution_ids":["https://openalex.org/I4210138309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5129428002","display_name":"Yiping Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]},{"id":"https://openalex.org/I4210138309","display_name":"Center for Innovation","ror":"https://ror.org/04c1v2b17","country_code":"US","type":"facility","lineage":["https://openalex.org/I1322918889","https://openalex.org/I2799886695","https://openalex.org/I4210089489","https://openalex.org/I4210138309"]}],"countries":["CN","US"],"is_corresponding":false,"raw_author_name":"Yiping Liu","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University","Yuelushan Center for Industrial Innovation"],"raw_orcid":"https://orcid.org/0000-0001-7340-2551","affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]},{"raw_affiliation_string":"Yuelushan Center for Industrial Innovation","institution_ids":["https://openalex.org/I4210138309"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5129512551","display_name":"Zhou Yu","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Zhou Yu","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University"],"raw_orcid":"https://orcid.org/0009-0002-4804-9674","affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5129403873","display_name":"Jiayi Zhang","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Jiayi Zhang","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5125740852","display_name":"Yujie Chen","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Yujie Chen","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5129616693","display_name":"Shu Wu","orcid":null},"institutions":[{"id":"https://openalex.org/I19820366","display_name":"Chinese Academy of Sciences","ror":"https://ror.org/034t30j35","country_code":"CN","type":"government","lineage":["https://openalex.org/I19820366"]},{"id":"https://openalex.org/I4210164862","display_name":"Artificial Intelligence in Medicine (Canada)","ror":"https://ror.org/05p590m36","country_code":"CA","type":"company","lineage":["https://openalex.org/I4210164862"]}],"countries":["CA","CN"],"is_corresponding":false,"raw_author_name":"Shu Wu","raw_affiliation_strings":["Center for Research on Intelligent Perception and Computing, State Key Laboratory of Multimodal Artificial Intelligence Systems, Institute of Automation","Chinese Academy of Sciences"],"raw_orcid":"https://orcid.org/0000-0003-2164-3577","affiliations":[{"raw_affiliation_string":"Center for Research on Intelligent Perception and Computing, State Key Laboratory of Multimodal Artificial Intelligence Systems, Institute of Automation","institution_ids":["https://openalex.org/I4210164862"]},{"raw_affiliation_string":"Chinese Academy of Sciences","institution_ids":["https://openalex.org/I19820366"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5103656398","display_name":"Li Wei","orcid":null},"institutions":[{"id":"https://openalex.org/I154099455","display_name":"Shandong University","ror":"https://ror.org/0207yh398","country_code":"CN","type":"education","lineage":["https://openalex.org/I154099455"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Leyi Wei","raw_affiliation_strings":["School of Software","Shandong University"],"raw_orcid":"https://orcid.org/0000-0003-1444-190X","affiliations":[{"raw_affiliation_string":"School of Software","institution_ids":[]},{"raw_affiliation_string":"Shandong University","institution_ids":["https://openalex.org/I154099455"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5129516379","display_name":"Xiangxiang Zeng","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiangxiang Zeng","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]}]},{"author_position":"middle","author":{"id":null,"display_name":"Yuyan Han","orcid":null},"institutions":[{"id":"https://openalex.org/I196934937","display_name":"Liaocheng University","ror":"https://ror.org/03yh0n709","country_code":"CN","type":"education","lineage":["https://openalex.org/I196934937"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Yuyan Han","raw_affiliation_strings":["Liaocheng University","School of Computer Science"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Liaocheng University","institution_ids":["https://openalex.org/I196934937"]},{"raw_affiliation_string":"School of Computer Science","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5129563238","display_name":"Yuansheng Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]},{"id":"https://openalex.org/I4210138309","display_name":"Center for Innovation","ror":"https://ror.org/04c1v2b17","country_code":"US","type":"facility","lineage":["https://openalex.org/I1322918889","https://openalex.org/I2799886695","https://openalex.org/I4210089489","https://openalex.org/I4210138309"]}],"countries":["CN","US"],"is_corresponding":true,"raw_author_name":"Yuansheng Liu","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University","Yuelushan Center for Industrial Innovation"],"raw_orcid":"https://orcid.org/0000-0002-7680-3155","affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]},{"raw_affiliation_string":"Yuelushan Center for Industrial Innovation","institution_ids":["https://openalex.org/I4210138309"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5129563238","display_name":"Yuansheng Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I16609230","display_name":"Hunan University","ror":"https://ror.org/05htk5m33","country_code":"CN","type":"education","lineage":["https://openalex.org/I16609230"]},{"id":"https://openalex.org/I4210138309","display_name":"Center for Innovation","ror":"https://ror.org/04c1v2b17","country_code":"US","type":"facility","lineage":["https://openalex.org/I1322918889","https://openalex.org/I2799886695","https://openalex.org/I4210089489","https://openalex.org/I4210138309"]}],"countries":["CN","US"],"is_corresponding":false,"raw_author_name":"Yuansheng Liu","raw_affiliation_strings":["College of Computer Science and Electronic Engineering","Hunan University","Yuelushan Center for Industrial Innovation"],"raw_orcid":"https://orcid.org/0000-0002-7680-3155","affiliations":[{"raw_affiliation_string":"College of Computer Science and Electronic Engineering","institution_ids":[]},{"raw_affiliation_string":"Hunan University","institution_ids":["https://openalex.org/I16609230"]},{"raw_affiliation_string":"Yuelushan Center for Industrial Innovation","institution_ids":["https://openalex.org/I4210138309"]}]}],"institutions":[],"countries_distinct_count":3,"institutions_distinct_count":11,"corresponding_author_ids":["https://openalex.org/A5129428002","https://openalex.org/A5129563238"],"corresponding_institution_ids":["https://openalex.org/I16609230","https://openalex.org/I196934937","https://openalex.org/I4210138309"],"apc_list":null,"apc_paid":null,"fwci":0.0,"has_fulltext":false,"cited_by_count":0,"citation_normalized_percentile":{"value":0.36306621,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":null,"biblio":{"volume":"66","issue":"7","first_page":"3774","last_page":"3786"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.7396000027656555,"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"}},"topics":[{"id":"https://openalex.org/T11948","display_name":"Machine Learning in Materials Science","score":0.7396000027656555,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.1031000018119812,"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/T12254","display_name":"Machine Learning in Bioinformatics","score":0.0357000008225441,"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/retrosynthetic-analysis","display_name":"Retrosynthetic analysis","score":0.9704999923706055},{"id":"https://openalex.org/keywords/distillation","display_name":"Distillation","score":0.7627999782562256},{"id":"https://openalex.org/keywords/task","display_name":"Task (project management)","score":0.5863000154495239},{"id":"https://openalex.org/keywords/fractionating-column","display_name":"Fractionating column","score":0.3878999948501587},{"id":"https://openalex.org/keywords/sampling","display_name":"Sampling (signal processing)","score":0.3723999857902527},{"id":"https://openalex.org/keywords/bridge","display_name":"Bridge (graph theory)","score":0.3508000075817108}],"concepts":[{"id":"https://openalex.org/C42437451","wikidata":"https://www.wikidata.org/wiki/Q902227","display_name":"Retrosynthetic analysis","level":3,"score":0.9704999923706055},{"id":"https://openalex.org/C204030448","wikidata":"https://www.wikidata.org/wiki/Q101017","display_name":"Distillation","level":2,"score":0.7627999782562256},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.6011999845504761},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.5863000154495239},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5759999752044678},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5674999952316284},{"id":"https://openalex.org/C154030694","wikidata":"https://www.wikidata.org/wiki/Q1436074","display_name":"Fractionating column","level":3,"score":0.3878999948501587},{"id":"https://openalex.org/C140779682","wikidata":"https://www.wikidata.org/wiki/Q210868","display_name":"Sampling (signal processing)","level":3,"score":0.3723999857902527},{"id":"https://openalex.org/C100776233","wikidata":"https://www.wikidata.org/wiki/Q2532492","display_name":"Bridge (graph theory)","level":2,"score":0.3508000075817108},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.34610000252723694},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.32679998874664307},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.2851000130176544},{"id":"https://openalex.org/C2780735816","wikidata":"https://www.wikidata.org/wiki/Q28324931","display_name":"Incremental learning","level":2,"score":0.28130000829696655},{"id":"https://openalex.org/C2780980858","wikidata":"https://www.wikidata.org/wiki/Q110022","display_name":"Dual (grammatical number)","level":2,"score":0.25290000438690186},{"id":"https://openalex.org/C58328972","wikidata":"https://www.wikidata.org/wiki/Q184609","display_name":"Expert system","level":2,"score":0.25189998745918274}],"mesh":[{"descriptor_ui":"D000069550","descriptor_name":"Machine Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D057168","descriptor_name":"Distillation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D060326","descriptor_name":"Chemistry Techniques, Synthetic","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":true}],"locations_count":2,"locations":[{"id":"doi:10.1021/acs.jcim.6c00322","is_oa":false,"landing_page_url":"https://doi.org/10.1021/acs.jcim.6c00322","pdf_url":null,"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":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Chemical Information and Modeling","raw_type":"journal-article"},{"id":"pmid:41834663","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/41834663","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}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G268992786","display_name":null,"funder_award_id":"U22A2037","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5477186794","display_name":null,"funder_award_id":"62122025","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G5600204614","display_name":null,"funder_award_id":"L248013","funder_id":"https://openalex.org/F4320334977","funder_display_name":"Beijing Municipal Natural Science Foundation"},{"id":"https://openalex.org/G5794698883","display_name":null,"funder_award_id":"62522110","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6197502279","display_name":null,"funder_award_id":"62432011","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G635739521","display_name":null,"funder_award_id":"62372159","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G6983519186","display_name":null,"funder_award_id":"2024JJ4015","funder_id":"https://openalex.org/F4320322843","funder_display_name":"Natural Science Foundation of\u00a0Hunan Province"},{"id":"https://openalex.org/G771689064","display_name":null,"funder_award_id":"62450002","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8165387146","display_name":null,"funder_award_id":"2023ZD0120902","funder_id":"https://openalex.org/F4320329860","funder_display_name":"National Science and Technology Major Project"},{"id":"https://openalex.org/G8581992634","display_name":null,"funder_award_id":"62472152","funder_id":"https://openalex.org/F4320321001","funder_display_name":"National Natural Science Foundation of China"},{"id":"https://openalex.org/G8914552600","display_name":null,"funder_award_id":"62425204","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/F4320322843","display_name":"Natural Science Foundation of\u00a0Hunan Province","ror":null},{"id":"https://openalex.org/F4320329860","display_name":"National Science and Technology Major Project","ror":null},{"id":"https://openalex.org/F4320334977","display_name":"Beijing Municipal Natural Science Foundation","ror":null}],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":48,"referenced_works":["https://openalex.org/W1975147762","https://openalex.org/W1998751443","https://openalex.org/W2040103915","https://openalex.org/W2062601468","https://openalex.org/W2152488335","https://openalex.org/W2182451202","https://openalex.org/W2328708083","https://openalex.org/W2551217916","https://openalex.org/W2620998106","https://openalex.org/W2747592475","https://openalex.org/W2769423117","https://openalex.org/W2769756736","https://openalex.org/W2789366878","https://openalex.org/W2791657723","https://openalex.org/W2799620402","https://openalex.org/W2804364726","https://openalex.org/W2947423323","https://openalex.org/W2958953787","https://openalex.org/W2994678679","https://openalex.org/W3014689923","https://openalex.org/W3097476496","https://openalex.org/W3129168016","https://openalex.org/W3135942277","https://openalex.org/W3143418323","https://openalex.org/W3152975457","https://openalex.org/W3159181932","https://openalex.org/W3181403764","https://openalex.org/W3189262114","https://openalex.org/W3191453199","https://openalex.org/W4214868967","https://openalex.org/W4224989600","https://openalex.org/W4225157601","https://openalex.org/W4229040393","https://openalex.org/W4307447012","https://openalex.org/W4382240123","https://openalex.org/W4384522218","https://openalex.org/W4385571797","https://openalex.org/W4385573302","https://openalex.org/W4387297831","https://openalex.org/W4389472086","https://openalex.org/W4391160649","https://openalex.org/W4400081387","https://openalex.org/W4400656170","https://openalex.org/W4400658834","https://openalex.org/W4404387795","https://openalex.org/W4412428247","https://openalex.org/W4414169308","https://openalex.org/W4415795457"],"related_works":[],"abstract_inverted_index":{"Single-step":[0],"retrosynthesis":[1,43],"prediction":[2,20,44],"aims":[3],"to":[4,62],"identify":[5],"reactants":[6],"for":[7,15],"synthesizing":[8],"a":[9,79,92],"target":[10],"molecule":[11],"and":[12,31,55,72,82],"is":[13],"crucial":[14],"pathway":[16],"planning.":[17],"Despite":[18],"improved":[19],"accuracy,":[21],"existing":[22],"methods":[23],"often":[24],"struggle":[25],"with":[26],"performance":[27,65,94],"disparities":[28],"between":[29],"high-":[30],"low-resource":[32],"reaction":[33],"classes.":[34],"This":[35],"limitation":[36],"hampers":[37],"the":[38,42,102,109],"overall":[39],"effectiveness":[40,111],"of":[41,104,112],"methods.":[45],"Here,":[46],"we":[47],"introduce":[48],"two":[49],"novel":[50],"strategies\u2500Retrosynthetic":[51],"Mutual":[52],"Distillation":[53],"(Retro-MD)":[54],"Retrosynthetic":[56],"Self-Distillation":[57],"(Retro-SD)\u2500leveraging":[58],"distillation":[59,115],"learning":[60],"techniques":[61],"bridge":[63],"this":[64],"gap.":[66],"Retro-MD":[67],"uses":[68],"dual":[69],"sampling":[70],"temperatures":[71],"cross-model":[73],"knowledge":[74],"transfer,":[75],"while":[76],"Retro-SD":[77],"leverages":[78],"fixed":[80],"temperature":[81],"self-distillation":[83],"from":[84],"prior":[85],"iterations.":[86],"Evaluations":[87],"on":[88],"Transformer-based":[89],"models":[90],"show":[91],"state-of-the-art":[93],"among":[95],"template-free":[96],"approaches.":[97],"Ablation":[98],"studies":[99],"further":[100],"validate":[101],"rationale":[103],"reaction-class-aware":[105],"task":[106],"partitioning,":[107],"demonstrating":[108],"robust":[110],"our":[113],"proposed":[114],"strategies.":[116]},"counts_by_year":[],"updated_date":"2026-06-03T06:16:58.514037","created_date":"2026-03-17T00:00:00"}