{"id":"https://openalex.org/W2023937877","doi":"https://doi.org/10.1007/s10822-004-5319-9","title":"Locally Linear Embedding for dimensionality reduction in QSAR","display_name":"Locally Linear Embedding for dimensionality reduction in QSAR","publication_year":2004,"publication_date":"2004-07-01","ids":{"openalex":"https://openalex.org/W2023937877","doi":"https://doi.org/10.1007/s10822-004-5319-9","mag":"2023937877","pmid":"https://pubmed.ncbi.nlm.nih.gov/15729847"},"language":"en","primary_location":{"id":"doi:10.1007/s10822-004-5319-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-004-5319-9","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","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/A5105171254","display_name":"P.-J. L Heureux","orcid":null},"institutions":[{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"P.-J. L?Heureux","raw_affiliation_strings":["DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada","institution_ids":["https://openalex.org/I70931966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5073805424","display_name":"Julie Carreau","orcid":"https://orcid.org/0000-0002-0935-9138"},"institutions":[{"id":"https://openalex.org/I159129438","display_name":"Universit\u00e9 du Qu\u00e9bec \u00e0 Montr\u00e9al","ror":"https://ror.org/002rjbv21","country_code":"CA","type":"education","lineage":["https://openalex.org/I159129438","https://openalex.org/I49663120"]},{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"J. Carreau","raw_affiliation_strings":["DIRO, Universit\u00e9 Montr\u00e9al,  C.P. 6128, Succ. Centre-Ville, Montr\u00e9al, H3C 3J7, Canada","DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"DIRO, Universit\u00e9 Montr\u00e9al,  C.P. 6128, Succ. Centre-Ville, Montr\u00e9al, H3C 3J7, Canada","institution_ids":["https://openalex.org/I70931966","https://openalex.org/I159129438"]},{"raw_affiliation_string":"DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada","institution_ids":["https://openalex.org/I70931966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5086198262","display_name":"Yoshua Bengio","orcid":"https://orcid.org/0000-0002-9322-3515"},"institutions":[{"id":"https://openalex.org/I159129438","display_name":"Universit\u00e9 du Qu\u00e9bec \u00e0 Montr\u00e9al","ror":"https://ror.org/002rjbv21","country_code":"CA","type":"education","lineage":["https://openalex.org/I159129438","https://openalex.org/I49663120"]},{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"Y. Bengio","raw_affiliation_strings":["DIRO, Universit\u00e9 Montr\u00e9al,  C.P. 6128, Succ. Centre-Ville, Montr\u00e9al, H3C 3J7, Canada","DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"DIRO, Universit\u00e9 Montr\u00e9al,  C.P. 6128, Succ. Centre-Ville, Montr\u00e9al, H3C 3J7, Canada","institution_ids":["https://openalex.org/I70931966","https://openalex.org/I159129438"]},{"raw_affiliation_string":"DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada","institution_ids":["https://openalex.org/I70931966"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5065423636","display_name":"Olivier Delalleau","orcid":null},"institutions":[{"id":"https://openalex.org/I159129438","display_name":"Universit\u00e9 du Qu\u00e9bec \u00e0 Montr\u00e9al","ror":"https://ror.org/002rjbv21","country_code":"CA","type":"education","lineage":["https://openalex.org/I159129438","https://openalex.org/I49663120"]},{"id":"https://openalex.org/I70931966","display_name":"Universit\u00e9 de Montr\u00e9al","ror":"https://ror.org/0161xgx34","country_code":"CA","type":"education","lineage":["https://openalex.org/I70931966"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"O. Delalleau","raw_affiliation_strings":["DIRO, Universit\u00e9 Montr\u00e9al,  C.P. 6128, Succ. Centre-Ville, Montr\u00e9al, H3C 3J7, Canada","DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"DIRO, Universit\u00e9 Montr\u00e9al,  C.P. 6128, Succ. Centre-Ville, Montr\u00e9al, H3C 3J7, Canada","institution_ids":["https://openalex.org/I70931966","https://openalex.org/I159129438"]},{"raw_affiliation_string":"DIRO, Universit\u00e9 Montr\u00e9al, Montr\u00e9al, Canada","institution_ids":["https://openalex.org/I70931966"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5102988397","display_name":"S. Y. Yue","orcid":"https://orcid.org/0009-0006-3408-4638"},"institutions":[{"id":"https://openalex.org/I4210149652","display_name":"AstraZeneca (Canada)","ror":"https://ror.org/04n8fbz89","country_code":"CA","type":"company","lineage":["https://openalex.org/I105036370","https://openalex.org/I4210149652"]}],"countries":["CA"],"is_corresponding":false,"raw_author_name":"S. Y. Yue","raw_affiliation_strings":["AstraZeneca R&D, Montreal, Canada","AstraZeneca R&D, Montr\u00e9al, Canada"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"AstraZeneca R&D, Montreal, Canada","institution_ids":["https://openalex.org/I4210149652"]},{"raw_affiliation_string":"AstraZeneca R&D, Montr\u00e9al, Canada","institution_ids":["https://openalex.org/I4210149652"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":[],"corresponding_institution_ids":[],"apc_list":{"value":2890,"currency":"EUR","value_usd":3690},"apc_paid":null,"fwci":1.3679,"has_fulltext":false,"cited_by_count":21,"citation_normalized_percentile":{"value":0.80401488,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":94},"biblio":{"volume":"18","issue":"7-9","first_page":"475","last_page":"482"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10211","display_name":"Computational Drug Discovery Methods","score":0.9995999932289124,"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":0.9995999932289124,"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":0.9965000152587891,"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":0.9908000230789185,"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/dimensionality-reduction","display_name":"Dimensionality reduction","score":0.8913825154304504},{"id":"https://openalex.org/keywords/quantitative-structure\u2013activity-relationship","display_name":"Quantitative structure\u2013activity relationship","score":0.7055284976959229},{"id":"https://openalex.org/keywords/embedding","display_name":"Embedding","score":0.6921482086181641},{"id":"https://openalex.org/keywords/curse-of-dimensionality","display_name":"Curse of dimensionality","score":0.6919915080070496},{"id":"https://openalex.org/keywords/feature-selection","display_name":"Feature selection","score":0.5814720392227173},{"id":"https://openalex.org/keywords/representation","display_name":"Representation (politics)","score":0.5657971501350403},{"id":"https://openalex.org/keywords/reduction","display_name":"Reduction (mathematics)","score":0.505912721157074},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.502795934677124},{"id":"https://openalex.org/keywords/artificial-intelligence","display_name":"Artificial intelligence","score":0.467538058757782},{"id":"https://openalex.org/keywords/nonlinear-dimensionality-reduction","display_name":"Nonlinear dimensionality reduction","score":0.45969241857528687},{"id":"https://openalex.org/keywords/pattern-recognition","display_name":"Pattern recognition (psychology)","score":0.4136744439601898},{"id":"https://openalex.org/keywords/mathematics","display_name":"Mathematics","score":0.41365548968315125},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.33927541971206665},{"id":"https://openalex.org/keywords/machine-learning","display_name":"Machine learning","score":0.29563426971435547}],"concepts":[{"id":"https://openalex.org/C70518039","wikidata":"https://www.wikidata.org/wiki/Q16000077","display_name":"Dimensionality reduction","level":2,"score":0.8913825154304504},{"id":"https://openalex.org/C164126121","wikidata":"https://www.wikidata.org/wiki/Q766383","display_name":"Quantitative structure\u2013activity relationship","level":2,"score":0.7055284976959229},{"id":"https://openalex.org/C41608201","wikidata":"https://www.wikidata.org/wiki/Q980509","display_name":"Embedding","level":2,"score":0.6921482086181641},{"id":"https://openalex.org/C111030470","wikidata":"https://www.wikidata.org/wiki/Q1430460","display_name":"Curse of dimensionality","level":2,"score":0.6919915080070496},{"id":"https://openalex.org/C148483581","wikidata":"https://www.wikidata.org/wiki/Q446488","display_name":"Feature selection","level":2,"score":0.5814720392227173},{"id":"https://openalex.org/C2776359362","wikidata":"https://www.wikidata.org/wiki/Q2145286","display_name":"Representation (politics)","level":3,"score":0.5657971501350403},{"id":"https://openalex.org/C111335779","wikidata":"https://www.wikidata.org/wiki/Q3454686","display_name":"Reduction (mathematics)","level":2,"score":0.505912721157074},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.502795934677124},{"id":"https://openalex.org/C154945302","wikidata":"https://www.wikidata.org/wiki/Q11660","display_name":"Artificial intelligence","level":1,"score":0.467538058757782},{"id":"https://openalex.org/C151876577","wikidata":"https://www.wikidata.org/wiki/Q7049464","display_name":"Nonlinear dimensionality reduction","level":3,"score":0.45969241857528687},{"id":"https://openalex.org/C153180895","wikidata":"https://www.wikidata.org/wiki/Q7148389","display_name":"Pattern recognition (psychology)","level":2,"score":0.4136744439601898},{"id":"https://openalex.org/C33923547","wikidata":"https://www.wikidata.org/wiki/Q395","display_name":"Mathematics","level":0,"score":0.41365548968315125},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.33927541971206665},{"id":"https://openalex.org/C119857082","wikidata":"https://www.wikidata.org/wiki/Q2539","display_name":"Machine learning","level":1,"score":0.29563426971435547},{"id":"https://openalex.org/C17744445","wikidata":"https://www.wikidata.org/wiki/Q36442","display_name":"Political science","level":0,"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/C199539241","wikidata":"https://www.wikidata.org/wiki/Q7748","display_name":"Law","level":1,"score":0.0},{"id":"https://openalex.org/C2524010","wikidata":"https://www.wikidata.org/wiki/Q8087","display_name":"Geometry","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001185","descriptor_name":"Artificial Intelligence","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007858","descriptor_name":"Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007858","descriptor_name":"Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D007858","descriptor_name":"Learning","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016018","descriptor_name":"Least-Squares Analysis","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D016571","descriptor_name":"Neural Networks, Computer","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D021281","descriptor_name":"Quantitative Structure-Activity Relationship","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true}],"locations_count":4,"locations":[{"id":"doi:10.1007/s10822-004-5319-9","is_oa":false,"landing_page_url":"https://doi.org/10.1007/s10822-004-5319-9","pdf_url":null,"source":{"id":"https://openalex.org/S64621741","display_name":"Journal of Computer-Aided Molecular Design","issn_l":"0920-654X","issn":["0920-654X","1573-4951"],"is_oa":false,"is_in_doaj":false,"is_core":true,"host_organization":"https://openalex.org/P4310319900","host_organization_name":"Springer Science+Business Media","host_organization_lineage":["https://openalex.org/P4310319900","https://openalex.org/P4310319965"],"host_organization_lineage_names":["Springer Science+Business Media","Springer Nature"],"type":"journal"},"license":null,"license_id":null,"version":"publishedVersion","is_accepted":true,"is_published":true,"raw_source_name":"Journal of Computer-Aided Molecular Design","raw_type":"journal-article"},{"id":"pmid:15729847","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/15729847","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 computer-aided molecular design","raw_type":null},{"id":"pmh:oai:HAL:hal-03276285v1","is_oa":false,"landing_page_url":"https://hal.science/hal-03276285","pdf_url":null,"source":{"id":"https://openalex.org/S4306402512","display_name":"HAL (Le Centre pour la Communication Scientifique Directe)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I1294671590","host_organization_name":"Centre National de la Recherche Scientifique","host_organization_lineage":["https://openalex.org/I1294671590"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"Journal of Computer-Aided Molecular Design, 2004, 18 (7-9), pp.475-482. &#x27E8;10.1007/s10822-004-5319-9&#x27E9;","raw_type":"info:eu-repo/semantics/article"},{"id":"pmh:oai:publications.polymtl.ca:48846","is_oa":false,"landing_page_url":"https://publications.polymtl.ca/48846/","pdf_url":null,"source":{"id":"https://openalex.org/S4306401013","display_name":"PolyPublie (\u00c9cole Polytechnique de Montr\u00e9al)","issn_l":null,"issn":null,"is_oa":false,"is_in_doaj":false,"is_core":false,"host_organization":"https://openalex.org/I45683168","host_organization_name":"Polytechnique Montr\u00e9al","host_organization_lineage":["https://openalex.org/I45683168"],"host_organization_lineage_names":[],"type":"repository"},"license":null,"license_id":null,"version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":null,"raw_type":"Article de revue"}],"best_oa_location":null,"sustainable_development_goals":[],"awards":[],"funders":[],"has_content":{"pdf":false,"grobid_xml":false},"content_urls":null,"referenced_works_count":21,"referenced_works":["https://openalex.org/W1498436455","https://openalex.org/W1591017106","https://openalex.org/W1604938182","https://openalex.org/W2001141328","https://openalex.org/W2019966295","https://openalex.org/W2053186076","https://openalex.org/W2064516222","https://openalex.org/W2079775628","https://openalex.org/W2108912954","https://openalex.org/W2109025268","https://openalex.org/W2111176881","https://openalex.org/W2112545207","https://openalex.org/W2124623336","https://openalex.org/W2140095548","https://openalex.org/W2147421370","https://openalex.org/W2153934661","https://openalex.org/W2952595964","https://openalex.org/W3099514962","https://openalex.org/W4240430862","https://openalex.org/W4285719527","https://openalex.org/W4292023222"],"related_works":["https://openalex.org/W2375574759","https://openalex.org/W2383239174","https://openalex.org/W3088634662","https://openalex.org/W117517268","https://openalex.org/W3162910294","https://openalex.org/W2539700568","https://openalex.org/W1995622179","https://openalex.org/W2931531042","https://openalex.org/W1484111231","https://openalex.org/W2166963679"],"abstract_inverted_index":null,"counts_by_year":[{"year":2023,"cited_by_count":1},{"year":2022,"cited_by_count":1},{"year":2020,"cited_by_count":1},{"year":2019,"cited_by_count":1},{"year":2017,"cited_by_count":1},{"year":2012,"cited_by_count":1}],"updated_date":"2026-06-16T07:32:37.131356","created_date":"2016-06-24T00:00:00"}
