{"id":"https://openalex.org/W3207739895","doi":"https://doi.org/10.1109/cibcb49929.2021.9562949","title":"Adversarial Deep Evolutionary Learning for Drug Design","display_name":"Adversarial Deep Evolutionary Learning for Drug Design","publication_year":2021,"publication_date":"2021-10-13","ids":{"openalex":"https://openalex.org/W3207739895","doi":"https://doi.org/10.1109/cibcb49929.2021.9562949","mag":"3207739895"},"language":"en","primary_location":{"id":"doi:10.1109/cibcb49929.2021.9562949","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cibcb49929.2021.9562949","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2021 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB)","raw_type":"proceedings-article"},"type":"article","indexed_in":["crossref"],"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/A5028431487","display_name":"Sheriff Abouchekeir","orcid":null},"institutions":[{"id":"https://openalex.org/I186803428","display_name":"Brock University","ror":"https://ror.org/056am2717","country_code":"CA","type":"education","lineage":["https://openalex.org/I186803428"]}],"countries":["CA"],"is_corresponding":true,"raw_author_name":"Sheriff Abouchekeir","raw_affiliation_strings":["Department of Computer Science Brock University, St. Catharines, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science Brock University, St. Catharines, Ontario, Canada","institution_ids":["https://openalex.org/I186803428"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5066354389","display_name":"Alain Tchagang","orcid":"https://orcid.org/0000-0001-8619-9441"},"institutions":[{"id":"https://openalex.org/I4210159778","display_name":"National Research Council Canada","ror":"https://ror.org/04mte1k06","country_code":"CA","type":"government","lineage":["https://openalex.org/I4210159778"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Alain Tchagang","raw_affiliation_strings":["Digital Technologies Research Centre National Research Council Canada, Ottawa, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Digital Technologies Research Centre National Research Council Canada, Ottawa, Ontario, Canada","institution_ids":["https://openalex.org/I4210159778"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5033510515","display_name":"Yifeng Li","orcid":"https://orcid.org/0000-0002-4873-6928"},"institutions":[{"id":"https://openalex.org/I186803428","display_name":"Brock University","ror":"https://ror.org/056am2717","country_code":"CA","type":"education","lineage":["https://openalex.org/I186803428"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Yifeng Li","raw_affiliation_strings":["Department of Computer Science Brock University, St. Catharines, Ontario, Canada"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science Brock University, St. Catharines, Ontario, Canada","institution_ids":["https://openalex.org/I186803428"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5028431487"],"corresponding_institution_ids":["https://openalex.org/I186803428"],"apc_list":null,"apc_paid":null,"fwci":0.4444,"has_fulltext":false,"cited_by_count":3,"citation_normalized_percentile":{"value":0.68243436,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"01","last_page":"09"},"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/T11948","display_name":"Machine Learning in Materials Science","score":0.9768999814987183,"subfield":{"id":"https://openalex.org/subfields/2505","display_name":"Materials Chemistry"},"field":{"id":"https://openalex.org/fields/25","display_name":"Materials Science"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10044","display_name":"Protein Structure and Dynamics","score":0.9751999974250793,"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/autoencoder","display_name":"Autoencoder","score":0.7650428414344788},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.7325344681739807},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.6477612257003784},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.5985434055328369},{"id":"https://openalex.org/keywords/deep-learning","display_name":"Deep learning","score":0.5980898141860962},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.5465568900108337},{"id":"https://openalex.org/keywords/chemical-space","display_name":"Chemical space","score":0.5052011609077454},{"id":"https://openalex.org/keywords/space","display_name":"Space (punctuation)","score":0.4894050657749176},{"id":"https://openalex.org/keywords/process","display_name":"Process (computing)","score":0.48392659425735474},{"id":"https://openalex.org/keywords/adversarial-system","display_name":"Adversarial system","score":0.4811364710330963},{"id":"https://openalex.org/keywords/evolutionary-algorithm","display_name":"Evolutionary algorithm","score":0.43792304396629333},{"id":"https://openalex.org/keywords/latent-variable","display_name":"Latent variable","score":0.43054550886154175},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.4283943176269531},{"id":"https://openalex.org/keywords/feature-learning","display_name":"Feature learning","score":0.4113346338272095},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.11578220129013062}],"concepts":[{"id":"https://openalex.org/C101738243","wikidata":"https://www.wikidata.org/wiki/Q786435","display_name":"Autoencoder","level":3,"score":0.7650428414344788},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.7325344681739807},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.6477612257003784},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.5985434055328369},{"id":"https://openalex.org/C108583219","wikidata":"https://www.wikidata.org/wiki/Q197536","display_name":"Deep learning","level":2,"score":0.5980898141860962},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.5465568900108337},{"id":"https://openalex.org/C99726746","wikidata":"https://www.wikidata.org/wiki/Q906396","display_name":"Chemical space","level":3,"score":0.5052011609077454},{"id":"https://openalex.org/C2778572836","wikidata":"https://www.wikidata.org/wiki/Q380933","display_name":"Space (punctuation)","level":2,"score":0.4894050657749176},{"id":"https://openalex.org/C98045186","wikidata":"https://www.wikidata.org/wiki/Q205663","display_name":"Process (computing)","level":2,"score":0.48392659425735474},{"id":"https://openalex.org/C37736160","wikidata":"https://www.wikidata.org/wiki/Q1801315","display_name":"Adversarial system","level":2,"score":0.4811364710330963},{"id":"https://openalex.org/C159149176","wikidata":"https://www.wikidata.org/wiki/Q14489129","display_name":"Evolutionary algorithm","level":2,"score":0.43792304396629333},{"id":"https://openalex.org/C51167844","wikidata":"https://www.wikidata.org/wiki/Q4422623","display_name":"Latent variable","level":2,"score":0.43054550886154175},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.4283943176269531},{"id":"https://openalex.org/C59404180","wikidata":"https://www.wikidata.org/wiki/Q17013334","display_name":"Feature learning","level":2,"score":0.4113346338272095},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.11578220129013062},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"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/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/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","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":[],"locations_count":2,"locations":[{"id":"doi:10.1109/cibcb49929.2021.9562949","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cibcb49929.2021.9562949","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2021 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB)","raw_type":"proceedings-article"},{"id":"pmh:oai:cisti-icist.nrc-cnrc.ca:cistinparc:f15a9f1f-f7d0-4584-aa74-e6c95dc453ea","is_oa":false,"landing_page_url":"https://nrc-publications.canada.ca/eng/view/object/?id=f15a9f1f-f7d0-4584-aa74-e6c95dc453ea","pdf_url":null,"source":{"id":"https://openalex.org/S7407055245","display_name":"NPARC","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":null,"raw_type":"article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":32,"referenced_works":["https://openalex.org/W1498436455","https://openalex.org/W1677048202","https://openalex.org/W1959608418","https://openalex.org/W2023818227","https://openalex.org/W2064675550","https://openalex.org/W2122538988","https://openalex.org/W2163434105","https://openalex.org/W2166550586","https://openalex.org/W2176516200","https://openalex.org/W2273267066","https://openalex.org/W2298457129","https://openalex.org/W2529996553","https://openalex.org/W2736137960","https://openalex.org/W2767891136","https://openalex.org/W2786722833","https://openalex.org/W2901476322","https://openalex.org/W2916534270","https://openalex.org/W2945551948","https://openalex.org/W2949247522","https://openalex.org/W2994765956","https://openalex.org/W3007702560","https://openalex.org/W3116865743","https://openalex.org/W3156888729","https://openalex.org/W4238939225","https://openalex.org/W4297749228","https://openalex.org/W4318977982","https://openalex.org/W4320013936","https://openalex.org/W4391602018","https://openalex.org/W6640963894","https://openalex.org/W6747927160","https://openalex.org/W6774736260","https://openalex.org/W6780248173"],"related_works":["https://openalex.org/W2983142544","https://openalex.org/W2988134182","https://openalex.org/W2891059443","https://openalex.org/W2770818364","https://openalex.org/W4281663961","https://openalex.org/W3208888551","https://openalex.org/W4313561566","https://openalex.org/W3208386644","https://openalex.org/W4220682630","https://openalex.org/W4389832810"],"abstract_inverted_index":{"The":[0,13],"design":[1],"of":[2,15,22,60,96,104,114,123,138,168,172,179,196,203],"a":[3,8,19,42,74,85,154,192],"new":[4,43,160,170],"therapeutic":[5],"agent":[6],"is":[7,80,146],"time-consuming":[9],"and":[10,65,82,181,206],"expensive":[11],"process.":[12,90],"rise":[14],"machine":[16],"intelligence":[17],"provides":[18],"grand":[20],"opportunity":[21],"expeditiously":[23],"discovering":[24],"novel":[25,54],"drug":[26],"candidates":[27],"through":[28],"smart":[29],"search":[30,52],"in":[31,56,108,213,229],"the":[32,57,68,97,109,115,119,127,136,142,166,186,198,214,218,226],"vast":[33],"molecular":[34],"structural":[35,121],"space.":[36,71],"In":[37,72],"this":[38],"paper,":[39],"we":[40,231],"propose":[41],"approach":[44],"called":[45],"adversarial":[46,62,76],"deep":[47,86],"evolutionary":[48,87,106],"learning":[49,88,208],"(ADEL)":[50],"to":[51,135,148,225],"for":[53,153,191],"molecules":[55],"latent":[58,69,111,143,156],"space":[59,113,122,145,157],"an":[61,93,102,129],"generative":[63,215],"model":[64,79],"keep":[66],"improving":[67],"representation":[70,112,144],"ADEL,":[73],"custom-made":[75],"autoencoder":[77],"(AAE)":[78],"developed":[81],"trained":[83],"under":[84],"(DEL)":[89],"This":[91,151,201],"involves":[92],"initial":[94],"training":[95,137,180],"AAE":[98,116,139],"model,":[99,216],"followed":[100],"by":[101],"integration":[103],"multi-objective":[105],"optimization":[107],"continuous":[110,207],"rather":[117],"than":[118],"discrete":[120],"molecules.":[124],"By":[125,222],"using":[126],"AAE,":[128],"arbitrary":[130],"distribution":[131],"can":[132,162,235],"be":[133,163],"provided":[134],"such":[140],"that":[141,149,233],"set":[147],"distribution.":[150],"allows":[152],"starting":[155],"from":[158],"which":[159],"samples":[161,171],"produced.":[164],"Throughout":[165],"process":[167],"learning,":[169],"high-quality":[173],"are":[174],"generated":[175],"after":[176],"each":[177],"iteration":[178],"then":[182],"added":[183],"back":[184],"into":[185],"full":[187],"dataset.":[188],"Therefore,":[189],"allowing":[190],"more":[193],"comprehensive":[194],"procedure":[195],"understanding":[197],"data":[199,205,219],"structure.":[200],"combination":[202],"evolving":[204],"not":[209],"only":[210],"enables":[211],"improvement":[212],"but":[217],"as":[220],"well.":[221],"comparing":[223],"ADEL":[224,234],"previous":[227],"work":[228],"DEL,":[230],"see":[232],"obtain":[236],"better":[237],"property":[238],"distributions.":[239]},"counts_by_year":[{"year":2024,"cited_by_count":1},{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1}],"updated_date":"2026-03-02T08:37:19.008085","created_date":"2025-10-10T00:00:00"}
