{"id":"https://openalex.org/W4403210533","doi":"https://doi.org/10.1109/cibcb58642.2024.10702169","title":"Artificial Neural Networks for the Rapid Prediction of Possible Ferroptosis Inducers Using the GPx4 Enzyme","display_name":"Artificial Neural Networks for the Rapid Prediction of Possible Ferroptosis Inducers Using the GPx4 Enzyme","publication_year":2024,"publication_date":"2024-08-27","ids":{"openalex":"https://openalex.org/W4403210533","doi":"https://doi.org/10.1109/cibcb58642.2024.10702169"},"language":"en","primary_location":{"id":"doi:10.1109/cibcb58642.2024.10702169","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cibcb58642.2024.10702169","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2024 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB)","raw_type":"proceedings-article"},"type":"conference-paper","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/A5011878989","display_name":"Jesus Antonio Alvarado-Huayhuaz","orcid":"https://orcid.org/0000-0003-4912-3178"},"institutions":[{"id":"https://openalex.org/I62520931","display_name":"National University of Engineering","ror":"https://ror.org/006v63s16","country_code":"PE","type":"education","lineage":["https://openalex.org/I62520931"]}],"countries":["PE"],"is_corresponding":false,"raw_author_name":"Jesus Antonio Alvarado-Huayhuaz","raw_affiliation_strings":["Universidad Nacional de Ingenier&#x00ED;a,Facultad de Ciencias,Lima,Peru"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universidad Nacional de Ingenier&#x00ED;a,Facultad de Ciencias,Lima,Peru","institution_ids":["https://openalex.org/I62520931"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5022340301","display_name":"Miqu\u00e9ias Amorim Santos Silva","orcid":"https://orcid.org/0000-0003-4496-500X"},"institutions":[{"id":"https://openalex.org/I126460647","display_name":"Universidade Federal do Rio Grande","ror":"https://ror.org/05hpfkn88","country_code":"BR","type":"education","lineage":["https://openalex.org/I126460647"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Miqu\u00e9ias Amorim Santos Silva","raw_affiliation_strings":["Universidade Federal do Rio Grande,Centro de Ci&#x00EA;ncias Computacionais,Rio Grande,Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universidade Federal do Rio Grande,Centro de Ci&#x00EA;ncias Computacionais,Rio Grande,Brazil","institution_ids":["https://openalex.org/I126460647"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5009178874","display_name":"\u00c9. Pena","orcid":null},"institutions":[{"id":"https://openalex.org/I192513696","display_name":"National University of San Marcos","ror":"https://ror.org/006vs7897","country_code":"PE","type":"education","lineage":["https://openalex.org/I192513696"]}],"countries":["PE"],"is_corresponding":false,"raw_author_name":"Elvis Mauricio Jimenez Pe\u00f1a","raw_affiliation_strings":["Universidad Nacional Mayor de San Marcos,Departamento de Fisicoqu&#x00ED;mica,Lima,Peru"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universidad Nacional Mayor de San Marcos,Departamento de Fisicoqu&#x00ED;mica,Lima,Peru","institution_ids":["https://openalex.org/I192513696"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5111356778","display_name":"Joel Claudio Rengifo Marav\u00ed","orcid":null},"institutions":[{"id":"https://openalex.org/I79080234","display_name":"Universidad Nacional Agraria La Molina","ror":"https://ror.org/00vr49948","country_code":"PE","type":"education","lineage":["https://openalex.org/I79080234"]}],"countries":["PE"],"is_corresponding":false,"raw_author_name":"Joel Claudio Rengifo Marav\u00ed","raw_affiliation_strings":["Universidad Nacional Agraria La Molina,Departamento de Qu&#x00ED;mica,Lima,Peru"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universidad Nacional Agraria La Molina,Departamento de Qu&#x00ED;mica,Lima,Peru","institution_ids":["https://openalex.org/I79080234"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5107820464","display_name":"Angella M. Cordova-Mu\u00f1oz","orcid":null},"institutions":[{"id":"https://openalex.org/I4210091554","display_name":"National University of Trujillo","ror":"https://ror.org/001b4cb05","country_code":"PE","type":"education","lineage":["https://openalex.org/I4210091554"]}],"countries":["PE"],"is_corresponding":false,"raw_author_name":"Angella M. Cordova-Mu\u00f1oz","raw_affiliation_strings":["Universidad Nacional de Trujillo,Departamento de Farmacolog&#x00ED;a,Trujillo,Peru"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universidad Nacional de Trujillo,Departamento de Farmacolog&#x00ED;a,Trujillo,Peru","institution_ids":["https://openalex.org/I4210091554"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5086333993","display_name":"Karina Machado","orcid":"https://orcid.org/0000-0002-8966-5708"},"institutions":[{"id":"https://openalex.org/I126460647","display_name":"Universidade Federal do Rio Grande","ror":"https://ror.org/05hpfkn88","country_code":"BR","type":"education","lineage":["https://openalex.org/I126460647"]}],"countries":["BR"],"is_corresponding":false,"raw_author_name":"Karina dos Santos Machado","raw_affiliation_strings":["Universidade Federal do Rio Grande,Centro de Ci&#x00EA;ncias Computacionais,Rio Grande,Brazil"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Universidade Federal do Rio Grande,Centro de Ci&#x00EA;ncias Computacionais,Rio Grande,Brazil","institution_ids":["https://openalex.org/I126460647"]}]}],"institutions":[],"countries_distinct_count":2,"institutions_distinct_count":5,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":null,"apc_paid":null,"fwci":null,"has_fulltext":false,"cited_by_count":1,"citation_normalized_percentile":null,"cited_by_percentile_year":null,"biblio":{"volume":null,"issue":null,"first_page":"1","last_page":"6"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T11297","display_name":"Ferroptosis and cancer prognosis","score":0.7858999967575073,"subfield":{"id":"https://openalex.org/subfields/2740","display_name":"Pulmonary and Respiratory Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},"topics":[{"id":"https://openalex.org/T11297","display_name":"Ferroptosis and cancer prognosis","score":0.7858999967575073,"subfield":{"id":"https://openalex.org/subfields/2740","display_name":"Pulmonary and Respiratory Medicine"},"field":{"id":"https://openalex.org/fields/27","display_name":"Medicine"},"domain":{"id":"https://openalex.org/domains/4","display_name":"Health Sciences"}},{"id":"https://openalex.org/T10519","display_name":"Advanced Proteomics Techniques and Applications","score":0.7330999970436096,"subfield":{"id":"https://openalex.org/subfields/1607","display_name":"Spectroscopy"},"field":{"id":"https://openalex.org/fields/16","display_name":"Chemistry"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}},{"id":"https://openalex.org/T10310","display_name":"Corrosion Behavior and Inhibition","score":0.6510000228881836,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.6978701949119568},{"id":"https://openalex.org/keywords/inducer","display_name":"Inducer","score":0.6958472728729248},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5926612615585327},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.5079310536384583},{"id":"https://openalex.org/keywords/gpx4","display_name":"GPX4","score":0.47274598479270935},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.3446303904056549},{"id":"https://openalex.org/keywords/enzyme","display_name":"Enzyme","score":0.29189980030059814},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.1554979383945465},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.10484904050827026}],"concepts":[{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.6978701949119568},{"id":"https://openalex.org/C2225953","wikidata":"https://www.wikidata.org/wiki/Q1661899","display_name":"Inducer","level":3,"score":0.6958472728729248},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5926612615585327},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.5079310536384583},{"id":"https://openalex.org/C158086472","wikidata":"https://www.wikidata.org/wiki/Q21103287","display_name":"GPX4","level":5,"score":0.47274598479270935},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.3446303904056549},{"id":"https://openalex.org/C181199279","wikidata":"https://www.wikidata.org/wiki/Q8047","display_name":"Enzyme","level":2,"score":0.29189980030059814},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.1554979383945465},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.10484904050827026},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.0},{"id":"https://openalex.org/C2778760513","wikidata":"https://www.wikidata.org/wiki/Q24773045","display_name":"Glutathione peroxidase","level":4,"score":0.0},{"id":"https://openalex.org/C538909803","wikidata":"https://www.wikidata.org/wiki/Q116907","display_name":"Glutathione","level":3,"score":0.0}],"mesh":[],"locations_count":1,"locations":[{"id":"doi:10.1109/cibcb58642.2024.10702169","is_oa":false,"landing_page_url":"https://doi.org/10.1109/cibcb58642.2024.10702169","pdf_url":null,"source":null,"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"2024 IEEE Conference on Computational Intelligence in Bioinformatics and Computational Biology (CIBCB)","raw_type":"proceedings-article"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W94052953","https://openalex.org/W1975147762","https://openalex.org/W1986448811","https://openalex.org/W2090205085","https://openalex.org/W2159887157","https://openalex.org/W2334106055","https://openalex.org/W2584128012","https://openalex.org/W2593345037","https://openalex.org/W2910577018","https://openalex.org/W2953031156","https://openalex.org/W3003960907","https://openalex.org/W3114889729","https://openalex.org/W3121485073","https://openalex.org/W3168436232","https://openalex.org/W3206201183","https://openalex.org/W3214368565","https://openalex.org/W4211157511","https://openalex.org/W4307841241","https://openalex.org/W4366168591","https://openalex.org/W4376132125","https://openalex.org/W4390946922"],"related_works":["https://openalex.org/W2961085424","https://openalex.org/W4306674287","https://openalex.org/W3046775127","https://openalex.org/W3107602296","https://openalex.org/W4394896187","https://openalex.org/W3170094116","https://openalex.org/W4386462264","https://openalex.org/W4364306694","https://openalex.org/W4312192474","https://openalex.org/W4283697347"],"abstract_inverted_index":{"Cancer":[0],"affects":[1],"20":[2],"million":[3],"people":[4],"worldwide;":[5],"therefore,":[6],"accelerated":[7],"and":[8,88,173,205,210,216],"urgent":[9],"pathways":[10],"are":[11,60],"needed":[12],"for":[13,16,37,58,98,139,143,158,235,244],"the":[14,26,46,49,70,112,137,144,170,180,189,194,202,208,211,219,225,236,242],"search":[15,138,243],"new":[17],"drugs.":[18],"The":[19,177],"reactivation":[20],"of":[21,28,48,73,80,147,169,196,239],"cell":[22],"death":[23],"induced":[24],"by":[25,92,184,218],"accumulation":[27],"iron-dependent":[29],"lipid":[30],"peroxides":[31],"(Ferroptosis)":[32],"is":[33,79,179],"a":[34,84,95,155],"potential":[35,245],"mechanism":[36],"cancer":[38,65],"treatment.":[39],"One":[40],"pathway":[41],"to":[42,200,213,227],"trigger":[43],"Ferroptosis":[44],"involves":[45],"inactivation":[47],"glutathione-dependent":[50],"peroxidase":[51],"(GPx4)":[52],"protein.":[53],"Molecules":[54],"with":[55,141,188,231],"high":[56,85,232],"affinity":[57,142,233],"iron":[59],"also":[61,105],"being":[62],"studied":[63,132],"against":[64],"through":[66],"chelation":[67],"therapy.":[68],"Therefore,":[69],"rapid":[71],"detection":[72],"such":[74],"molecules":[75,230],"in":[76,108,116,133,149,241],"molecular":[77,175],"databases":[78],"interest.":[81],"Catechols":[82],"exhibit":[83],"iron-chelating":[86],"power":[87],"can":[89,104],"be":[90,106,214],"synthesized":[91],"microorganisms":[93],"as":[94],"chemical":[96],"strategy":[97],"acquiring":[99],"Fe<sup":[100],"xmlns:mml=\"http://www.w3.org/1998/Math/MathML\"":[101],"xmlns:xlink=\"http://www.w3.org/1999/xlink\">3+</sup>.":[102],"They":[103],"found":[107,124],"natural":[109,113],"products.":[110],"Recently,":[111],"product":[114],"database":[115,167],"Peru":[117],"(PeruNPDB)":[118],"has":[119],"been":[120,131],"published":[121],"where":[122],"we":[123,152],"catechols;":[125],"however,":[126],"these":[127],"have":[128,153],"not":[129],"yet":[130],"GPx4.":[134],"To":[135],"expedite":[136],"catechols":[140,172],"active":[145,237],"site":[146,238],"GPx4,":[148,240],"large":[150],"databases,":[151],"developed":[154],"prediction":[156],"model":[157,209],"scoring":[159],"based":[160],"on":[161],"artificial":[162],"neural":[163],"networks.":[164],"Our":[165,222],"initial":[166],"consisted":[168],"83":[171],"1,024":[174],"descriptors.":[176],"target":[178],"docking":[181],"score":[182],"obtained":[183],"ligand-receptor":[185],"GPx4":[186],"coupling":[187],"Autodock":[190],"Vina":[191],"software.":[192],"Emphasizing":[193],"application":[195],"recursive":[197],"feature":[198],"elimination":[199],"improve":[201],"model\u2019s":[203],"performance":[204],"provides":[206],"both":[207],"procedure":[212],"applied":[215],"improved":[217],"scientific":[220],"community.":[221],"program":[223],"enables":[224],"experimenter":[226],"rapidly":[228],"filter":[229],"specifically":[234],"inhibitors.":[246]},"counts_by_year":[{"year":2025,"cited_by_count":1}],"updated_date":"2026-07-14T23:27:15.235271","created_date":"2025-10-10T00:00:00"}
