{"id":"https://openalex.org/W1495202211","doi":"https://doi.org/10.3233/978-1-60750-692-8-3","title":"Bridging the Gap Between Neural Network and Kernel Methods: Applications to Drug Discovery","display_name":"Bridging the Gap Between Neural Network and Kernel Methods: Applications to Drug Discovery","publication_year":2011,"publication_date":"2011-01-01","ids":{"openalex":"https://openalex.org/W1495202211","doi":"https://doi.org/10.3233/978-1-60750-692-8-3","mag":"1495202211"},"language":"en","primary_location":{"id":"doi:10.3233/978-1-60750-692-8-3","is_oa":false,"landing_page_url":"https://doi.org/10.3233/978-1-60750-692-8-3","pdf_url":null,"source":{"id":"https://openalex.org/S4210201731","display_name":"Frontiers in artificial intelligence and applications","issn_l":"0922-6389","issn":["0922-6389","1879-8314"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Artificial Intelligence and Applications","raw_type":"book-chapter"},"type":"book-chapter","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/A5088813478","display_name":"Pierre Baldi","orcid":"https://orcid.org/0000-0001-8752-4664"},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":true,"raw_author_name":"Baldi Pierre","raw_affiliation_strings":["Department of Computer Science, University of California, Irvine and Institute for Genomics and Bioinformatics, University of California, Irvine"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, University of California, Irvine and Institute for Genomics and Bioinformatics, University of California, Irvine","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5106824961","display_name":"Chlo\u00e9 Azencott","orcid":null},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Azencott Chloe","raw_affiliation_strings":["Department of Computer Science, University of California, Irvine and Institute for Genomics and Bioinformatics, University of California, Irvine"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, University of California, Irvine and Institute for Genomics and Bioinformatics, University of California, Irvine","institution_ids":["https://openalex.org/I204250578"]}]},{"author_position":"last","author":{"id":null,"display_name":"Swamidass S. Joshua","orcid":null},"institutions":[{"id":"https://openalex.org/I204250578","display_name":"University of California, Irvine","ror":"https://ror.org/04gyf1771","country_code":"US","type":"education","lineage":["https://openalex.org/I204250578"]}],"countries":["US"],"is_corresponding":false,"raw_author_name":"Swamidass S. Joshua","raw_affiliation_strings":["Department of Computer Science, University of California, Irvine and Institute for Genomics and Bioinformatics, University of California, Irvine"],"affiliations":[{"raw_affiliation_string":"Department of Computer Science, University of California, Irvine and Institute for Genomics and Bioinformatics, University of California, Irvine","institution_ids":["https://openalex.org/I204250578"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5088813478"],"corresponding_institution_ids":["https://openalex.org/I204250578"],"apc_list":null,"apc_paid":null,"fwci":0.3863,"has_fulltext":false,"cited_by_count":4,"citation_normalized_percentile":{"value":0.6255887,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":90,"max":94},"biblio":{"volume":null,"issue":null,"first_page":"3","last_page":"13"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9965000152587891,"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":0.9965000152587891,"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"}}],"keywords":[{"id":"https://openalex.org/keywords/bridging","display_name":"Bridging (networking)","score":0.8768925666809082},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.576153576374054},{"id":"https://openalex.org/keywords/drug-discovery","display_name":"Drug discovery","score":0.5555291771888733},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.43951427936553955},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.34499043226242065},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.12058395147323608},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.11773231625556946},{"id":"https://openalex.org/keywords/computer-network","display_name":"Computer network","score":0.04673808813095093}],"concepts":[{"id":"https://openalex.org/C174348530","wikidata":"https://www.wikidata.org/wiki/Q188635","display_name":"Bridging (networking)","level":2,"score":0.8768925666809082},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.576153576374054},{"id":"https://openalex.org/C74187038","wikidata":"https://www.wikidata.org/wiki/Q1418791","display_name":"Drug discovery","level":2,"score":0.5555291771888733},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.43951427936553955},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.34499043226242065},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.12058395147323608},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.11773231625556946},{"id":"https://openalex.org/C31258907","wikidata":"https://www.wikidata.org/wiki/Q1301371","display_name":"Computer network","level":1,"score":0.04673808813095093}],"mesh":[],"locations_count":2,"locations":[{"id":"doi:10.3233/978-1-60750-692-8-3","is_oa":false,"landing_page_url":"https://doi.org/10.3233/978-1-60750-692-8-3","pdf_url":null,"source":{"id":"https://openalex.org/S4210201731","display_name":"Frontiers in artificial intelligence and applications","issn_l":"0922-6389","issn":["0922-6389","1879-8314"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":null,"host_organization_name":null,"host_organization_lineage":[],"host_organization_lineage_names":[],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Frontiers in Artificial Intelligence and Applications","raw_type":"book-chapter"},{"id":"mag:1495202211","is_oa":false,"landing_page_url":"https://www.igb.uci.edu/~pfbaldi/download/download.inc.php?pid=247","pdf_url":null,"source":{"id":"https://openalex.org/S4306420399","display_name":"Italian Workshop on Neural Nets","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":"conference"},"license":null,"license_id":null,"version":null,"is_accepted":false,"is_published":null,"raw_source_name":"Italian Workshop on Neural Nets","raw_type":null}],"best_oa_location":null,"sustainable_development_goals":[{"score":0.6000000238418579,"id":"https://metadata.un.org/sdg/3","display_name":"Good health and well-being"}],"awards":[],"funders":[],"has_content":{"grobid_xml":false,"pdf":false},"content_urls":null,"referenced_works_count":9,"referenced_works":["https://openalex.org/W1531524766","https://openalex.org/W1992095612","https://openalex.org/W2000541041","https://openalex.org/W2060097376","https://openalex.org/W2135835957","https://openalex.org/W2137262074","https://openalex.org/W2155741020","https://openalex.org/W2176720124","https://openalex.org/W4285719527"],"related_works":["https://openalex.org/W4391375266","https://openalex.org/W2899084033","https://openalex.org/W2748952813","https://openalex.org/W4388870064","https://openalex.org/W2210139803","https://openalex.org/W4235186151","https://openalex.org/W2054685365","https://openalex.org/W2056057048","https://openalex.org/W2667588871","https://openalex.org/W2272354214"],"abstract_inverted_index":{"We":[0],"develop":[1],"a":[2,23,42,51,61,158,168,192,220,236],"hybrid":[3],"machine":[4],"learning":[5],"architecture,":[6],"the":[7,28,35,47,57,68,70,75,94,102,106,112,153,195,225,243,247],"Influence":[8],"Relevance":[9],"Voter":[10],"(IRV),":[11],"where":[12,212],"an":[13,80],"initial":[14],"geometry-":[15],"or":[16,163],"kernel-":[17],"based":[18],"step":[19,25,59],"is":[20,150,161,229],"followed":[21],"by":[22],"feature-based":[24],"to":[26,45,55,84,98,110,136,152,167,177,182,209,240],"derive":[27],"final":[29,113],"prediction.":[30,115],"While":[31],"other":[32,183],"implementations":[33],"of":[34,67,74,79,104,155,224,238,246],"general":[36],"idea":[37],"are":[38,82,90,108,126,133,215],"possible,":[39],"we":[40,187],"use":[41],"k-Nearest-Neighbor":[43],"approach":[44,54,149,234],"implement":[46,56],"first":[48],"step,":[49],"and":[50,72,129,131,175,190],"Neural":[52],"Network":[53],"second":[58],"for":[60,199],"classification":[62],"problem.":[63],"In":[64,185],"this":[65],"version":[66],"IRV,":[69],"rank":[71],"similarities":[73],"k":[76],"nearest":[77],"neighbors":[78,107],"input":[81],"used":[83],"compute":[85],"their":[86],"individual":[87],"relevances.":[88],"Relevances":[89],"combined":[91],"multiplicatively":[92],"with":[93,165],"class":[95],"membership":[96],"values":[97],"produce":[99,111],"influences.":[100],"Finally":[101],"influences":[103],"all":[105],"aggregated":[109],"probabilistic":[114],"IRVs":[116],"have":[117],"several":[118],"advantages:":[119],"they":[120,125,132,139],"can":[121],"be":[122],"trained":[123],"fast,":[124],"easily":[127],"interpretable":[128],"modifiable,":[130],"not":[134,164,216],"prone":[135],"overfitting":[137],"since":[138],"rely":[140],"on":[141],"extensive":[142],"weight":[143],"sharing":[144],"across":[145],"neighbors.":[146],"The":[147,232],"IRV":[148],"applied":[151],"problem":[154],"predicting":[156],"whether":[157],"given":[159],"compound":[160],"active":[162],"respect":[166],"particular":[169],"biochemical":[170],"assay":[171],"in":[172,180,203],"drug":[173,207],"discovery":[174,208],"shown":[176],"perform":[178],"well":[179],"comparison":[181],"predictors.":[184],"addition,":[186],"also":[188],"introduce":[189],"demonstrate":[191],"new":[193],"approach,":[194],"Concentrated":[196],"ROC":[197,213,248],"(CROC),":[198],"assessing":[200],"prediction":[201],"performance":[202],"situations":[204],"ranging":[205],"from":[206],"information":[210],"retrieval,":[211],"curves":[214],"adequate,":[217],"because":[218],"only":[219],"very":[221],"small":[222],"subset":[223],"top":[226],"ranked":[227],"positives":[228],"practically":[230],"useful.":[231],"CROC":[233],"uses":[235],"change":[237],"coordinates":[239],"smoothly":[241],"magnify":[242],"relevant":[244],"portion":[245],"curve.":[249]},"counts_by_year":[{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-04-16T08:26:57.006410","created_date":"2025-10-10T00:00:00"}
