{"id":"https://openalex.org/W2803318906","doi":"https://doi.org/10.1186/s13321-018-0281-z","title":"Effect of missing data on multitask prediction methods","display_name":"Effect of missing data on multitask prediction methods","publication_year":2018,"publication_date":"2018-05-22","ids":{"openalex":"https://openalex.org/W2803318906","doi":"https://doi.org/10.1186/s13321-018-0281-z","mag":"2803318906","pmid":"https://pubmed.ncbi.nlm.nih.gov/29789977"},"language":"en","primary_location":{"id":"doi:10.1186/s13321-018-0281-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-018-0281-z","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0281-z","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0281-z","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5023019422","display_name":"Antonio de la Vega de Le\u00f3n","orcid":"https://orcid.org/0000-0003-0927-2099"},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":true,"raw_author_name":"Antonio de la Vega de Le\u00f3n","raw_affiliation_strings":["Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK. a.vega@sheffield.ac.uk","Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK"],"raw_orcid":"https://orcid.org/0000-0003-0927-2099","affiliations":[{"raw_affiliation_string":"Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK. a.vega@sheffield.ac.uk","institution_ids":["https://openalex.org/I91136226"]},{"raw_affiliation_string":"Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020099630","display_name":"Beining Chen","orcid":"https://orcid.org/0000-0003-4771-218X"},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Beining Chen","raw_affiliation_strings":["Department of Chemistry, University of Sheffield, Dainton Building, Brook Hill, Sheffield, S3 7HF, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chemistry, University of Sheffield, Dainton Building, Brook Hill, Sheffield, S3 7HF, UK","institution_ids":["https://openalex.org/I91136226"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5030046388","display_name":"Valerie J. Gillet","orcid":"https://orcid.org/0000-0002-8403-3111"},"institutions":[{"id":"https://openalex.org/I91136226","display_name":"University of Sheffield","ror":"https://ror.org/05krs5044","country_code":"GB","type":"education","lineage":["https://openalex.org/I91136226"]}],"countries":["GB"],"is_corresponding":false,"raw_author_name":"Valerie J. Gillet","raw_affiliation_strings":["Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Information School, University of Sheffield, Regent Court, 211 Portobello, Sheffield, S1 4DP, UK","institution_ids":["https://openalex.org/I91136226"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5023019422"],"corresponding_institution_ids":["https://openalex.org/I91136226"],"apc_list":{"value":1290,"currency":"GBP","value_usd":1582},"apc_paid":{"value":1290,"currency":"GBP","value_usd":1582},"fwci":7.0925,"has_fulltext":true,"cited_by_count":51,"citation_normalized_percentile":{"value":0.97556031,"is_in_top_1_percent":false,"is_in_top_10_percent":true},"cited_by_percentile_year":{"min":94,"max":100},"biblio":{"volume":"10","issue":"1","first_page":"26","last_page":"26"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9966999888420105,"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":0.9966999888420105,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9889000058174133,"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"}},{"id":"https://openalex.org/T10640","display_name":"Spectroscopy and Chemometric Analyses","score":0.9785000085830688,"subfield":{"id":"https://openalex.org/subfields/1602","display_name":"Analytical 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":0.7497712969779968},{"id":"https://openalex.org/keywords/missing-data","display_name":"Missing data","score":0.6439651250839233},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.6368157863616943},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.622413158416748},{"id":"https://openalex.org/keywords/artificial-neural-network","display_name":"Artificial neural network","score":0.5562037229537964},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.5318564772605896},{"id":"https://openalex.org/keywords/data-set","display_name":"Data set","score":0.5264787673950195},{"id":"https://openalex.org/keywords/multi-task-learning","display_name":"Multi-task learning","score":0.4941578209400177},{"id":"https://openalex.org/keywords/set","display_name":"Set (abstract data type)","score":0.47745993733406067},{"id":"https://openalex.org/keywords/field","display_name":"Field (mathematics)","score":0.46924591064453125},{"id":"https://openalex.org/keywords/cheminformatics","display_name":"Cheminformatics","score":0.459524005651474},{"id":"https://openalex.org/keywords/matrix-decomposition","display_name":"Matrix decomposition","score":0.444293737411499},{"id":"https://openalex.org/keywords/bayesian-probability","display_name":"Bayesian probability","score":0.4158041179180145},{"id":"https://openalex.org/keywords/task","display_name":"Task (project management)","score":0.24368461966514587},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.12886381149291992},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.10369759798049927}],"concepts":[{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.7497712969779968},{"id":"https://openalex.org/C9357733","wikidata":"https://www.wikidata.org/wiki/Q6878417","display_name":"Missing data","level":2,"score":0.6439651250839233},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.6368157863616943},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.622413158416748},{"id":"https://openalex.org/C50644808","wikidata":"https://www.wikidata.org/wiki/Q192776","display_name":"Artificial neural network","level":2,"score":0.5562037229537964},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.5318564772605896},{"id":"https://openalex.org/C58489278","wikidata":"https://www.wikidata.org/wiki/Q1172284","display_name":"Data set","level":2,"score":0.5264787673950195},{"id":"https://openalex.org/C28006648","wikidata":"https://www.wikidata.org/wiki/Q6934509","display_name":"Multi-task learning","level":3,"score":0.4941578209400177},{"id":"https://openalex.org/C177264268","wikidata":"https://www.wikidata.org/wiki/Q1514741","display_name":"Set (abstract data type)","level":2,"score":0.47745993733406067},{"id":"https://openalex.org/C9652623","wikidata":"https://www.wikidata.org/wiki/Q190109","display_name":"Field (mathematics)","level":2,"score":0.46924591064453125},{"id":"https://openalex.org/C68762167","wikidata":"https://www.wikidata.org/wiki/Q910164","display_name":"Cheminformatics","level":2,"score":0.459524005651474},{"id":"https://openalex.org/C42355184","wikidata":"https://www.wikidata.org/wiki/Q1361088","display_name":"Matrix decomposition","level":3,"score":0.444293737411499},{"id":"https://openalex.org/C107673813","wikidata":"https://www.wikidata.org/wiki/Q812534","display_name":"Bayesian probability","level":2,"score":0.4158041179180145},{"id":"https://openalex.org/C2780451532","wikidata":"https://www.wikidata.org/wiki/Q759676","display_name":"Task (project management)","level":2,"score":0.24368461966514587},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.12886381149291992},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.10369759798049927},{"id":"https://openalex.org/C62520636","wikidata":"https://www.wikidata.org/wiki/Q944","display_name":"Quantum mechanics","level":1,"score":0.0},{"id":"https://openalex.org/C158693339","wikidata":"https://www.wikidata.org/wiki/Q190524","display_name":"Eigenvalues and eigenvectors","level":2,"score":0.0},{"id":"https://openalex.org/C187736073","wikidata":"https://www.wikidata.org/wiki/Q2920921","display_name":"Management","level":1,"score":0.0},{"id":"https://openalex.org/C162324750","wikidata":"https://www.wikidata.org/wiki/Q8134","display_name":"Economics","level":0,"score":0.0},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.0},{"id":"https://openalex.org/C202444582","wikidata":"https://www.wikidata.org/wiki/Q837863","display_name":"Pure mathematics","level":1,"score":0.0},{"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/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.0}],"mesh":[],"locations_count":5,"locations":[{"id":"doi:10.1186/s13321-018-0281-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-018-0281-z","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0281-z","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},{"id":"pmid:29789977","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29789977","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 cheminformatics","raw_type":null},{"id":"pmh:oai:eprints.whiterose.ac.uk:130990","is_oa":false,"landing_page_url":null,"pdf_url":null,"source":{"id":"https://openalex.org/S4306400854","display_name":"White Rose Research Online (University of Leeds, The University of Sheffield, University of York)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I2800616092","host_organization_name":"White Rose University Consortium","host_organization_lineage":["https://openalex.org/I2800616092"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"acceptedVersion","is_accepted":true,"is_published":false,"raw_source_name":"","raw_type":"Article"},{"id":"pmh:oai:doaj.org/article:fed18e8d4d6b4b2fa56f2d13e718a76a","is_oa":true,"landing_page_url":"https://doaj.org/article/fed18e8d4d6b4b2fa56f2d13e718a76a","pdf_url":null,"source":{"id":"https://openalex.org/S4306401280","display_name":"DOAJ (DOAJ: Directory of Open Access Journals)","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":"cc-by-sa","license_id":"https://openalex.org/licenses/cc-by-sa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Cheminformatics, Vol 10, Iss 1, Pp 1-12 (2018)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:4938124","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5964064","pdf_url":null,"source":{"id":"https://openalex.org/S4306400806","display_name":"Europe PMC (PubMed Central)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1303153112","host_organization_name":"European Bioinformatics Institute","host_organization_lineage":["https://openalex.org/I1303153112"],"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":null,"raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s13321-018-0281-z","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s13321-018-0281-z","pdf_url":"https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0281-z","source":{"id":"https://openalex.org/S180838163","display_name":"Journal of Cheminformatics","issn_l":"1758-2946","issn":["1758-2946"],"is_oa":true,"is_in_doaj":true,"is_core":true,"host_organization":"https://openalex.org/P4310320256","host_organization_name":"BioMed Central","host_organization_lineage":["https://openalex.org/P4310320256","https://openalex.org/P4310319965"],"host_organization_lineage_names":["BioMed Central","Springer Nature"],"type":"journal"},"license":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Cheminformatics","raw_type":"journal-article"},"sustainable_development_goals":[{"id":"https://metadata.un.org/sdg/9","score":0.46000000834465027,"display_name":"Industry, innovation and infrastructure"}],"awards":[{"id":"https://openalex.org/G2296033488","display_name":"Diagnostic and Drug Discovery Initiative for Alzheimer\u2019s Disease","funder_award_id":"612347","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G3829048491","display_name":null,"funder_award_id":"FP7/2007-2013","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G5593277320","display_name":null,"funder_award_id":"2007-2013","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G5702163051","display_name":null,"funder_award_id":"FP7/2007","funder_id":"https://openalex.org/F4320320300","funder_display_name":"European Commission"},{"id":"https://openalex.org/G729554784","display_name":null,"funder_award_id":"612347","funder_id":"https://openalex.org/F4320338368","funder_display_name":"FP7 People: Marie-Curie Actions"}],"funders":[{"id":"https://openalex.org/F4320320300","display_name":"European Commission","ror":"https://ror.org/00k4n6c32"},{"id":"https://openalex.org/F4320334627","display_name":"Engineering and Physical Sciences Research Council","ror":"https://ror.org/0439y7842"},{"id":"https://openalex.org/F4320338368","display_name":"FP7 People: Marie-Curie Actions","ror":"https://ror.org/00k4n6c32"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2803318906.pdf","grobid_xml":"https://content.openalex.org/works/W2803318906.grobid-xml"},"referenced_works_count":33,"referenced_works":["https://openalex.org/W1490347130","https://openalex.org/W1588036380","https://openalex.org/W1655274992","https://openalex.org/W1738019091","https://openalex.org/W1835740130","https://openalex.org/W1840311687","https://openalex.org/W1975147762","https://openalex.org/W1975875968","https://openalex.org/W1979900513","https://openalex.org/W1988037271","https://openalex.org/W1988212011","https://openalex.org/W1997533142","https://openalex.org/W1999798000","https://openalex.org/W2006436808","https://openalex.org/W2054886599","https://openalex.org/W2057069496","https://openalex.org/W2094125466","https://openalex.org/W2105192804","https://openalex.org/W2114103087","https://openalex.org/W2128245586","https://openalex.org/W2149150765","https://openalex.org/W2177317049","https://openalex.org/W2189911347","https://openalex.org/W2235675062","https://openalex.org/W2245277337","https://openalex.org/W2402144811","https://openalex.org/W2402506318","https://openalex.org/W2464597724","https://openalex.org/W2729684734","https://openalex.org/W2734982589","https://openalex.org/W2751756351","https://openalex.org/W2911964244","https://openalex.org/W2919115771"],"related_works":["https://openalex.org/W1573015311","https://openalex.org/W2889938001","https://openalex.org/W4386509167","https://openalex.org/W3165034028","https://openalex.org/W1570419641","https://openalex.org/W4293771607","https://openalex.org/W2296499206","https://openalex.org/W132037564","https://openalex.org/W3216372614","https://openalex.org/W2187819724"],"abstract_inverted_index":{"There":[0,72],"has":[1,73],"been":[2,34,74],"a":[3,47,53,132,171],"growing":[4],"interest":[5],"in":[6,9,20,185],"multitask":[7,87,123,186],"prediction":[8,187],"chemoinformatics,":[10],"helped":[11],"by":[12,99],"the":[13,40,78,84,103,110,148],"increasing":[14],"use":[15],"of":[16,42,49,80,86,152,164],"deep":[17,125],"neural":[18,126],"networks":[19,127],"this":[21],"field.":[22],"This":[23,168],"technique":[24],"is":[25,131,155,179],"applied":[26],"to":[27,45,61,96,108,119,174,181],"multitarget":[28,57],"data":[29,58,82,94,101,111,154,165,178],"sets,":[30],"where":[31],"compounds":[32],"have":[33,69,90],"tested":[35],"against":[36],"different":[37,122],"targets,":[38],"with":[39],"aim":[41],"developing":[43],"models":[44,107],"predict":[46],"profile":[48],"biological":[50],"activities":[51],"for":[52],"given":[54],"compound.":[55],"However,":[56],"sets":[59,95,116],"tend":[60],"be":[62],"sparse;":[63],"i.e.,":[64],"not":[65],"all":[66],"compound-target":[67],"combinations":[68],"experimental":[70],"values.":[71],"little":[75],"research":[76],"on":[77,83],"effect":[79],"missing":[81,153],"performance":[85,149,184],"methods.":[88],"We":[89],"used":[91,118],"two":[92,121],"complete":[93],"simulate":[97],"sparseness":[98],"removing":[100],"from":[102,139],"training":[104],"set.":[105],"Different":[106],"remove":[109],"were":[112,117,142],"compared.":[113],"These":[114],"sparse":[115],"train":[120],"methods,":[124],"and":[128,145],"Macau,":[129],"which":[130],"Bayesian":[133],"probabilistic":[134],"matrix":[135],"factorization":[136],"technique.":[137],"Results":[138],"both":[140],"methods":[141],"remarkably":[143],"similar":[144],"showed":[146],"that":[147],"decrease":[150],"because":[151],"at":[156],"first":[157,172],"small":[158],"before":[159],"accelerating":[160],"after":[161],"large":[162],"amounts":[163],"are":[166],"removed.":[167],"work":[169],"provides":[170],"approximation":[173],"assess":[175],"how":[176],"much":[177],"required":[180],"produce":[182],"good":[183],"exercises.":[188]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":2},{"year":2024,"cited_by_count":2},{"year":2023,"cited_by_count":7},{"year":2022,"cited_by_count":6},{"year":2021,"cited_by_count":6},{"year":2020,"cited_by_count":19},{"year":2019,"cited_by_count":4},{"year":2018,"cited_by_count":4}],"updated_date":"2026-05-06T08:25:59.206177","created_date":"2018-06-01T00:00:00"}