{"id":"https://openalex.org/W2805113509","doi":"https://doi.org/10.1186/s12859-018-2196-0","title":"A systematic approach to identify therapeutic effects of natural products based on human metabolite information","display_name":"A systematic approach to identify therapeutic effects of natural products based on human metabolite information","publication_year":2018,"publication_date":"2018-06-01","ids":{"openalex":"https://openalex.org/W2805113509","doi":"https://doi.org/10.1186/s12859-018-2196-0","mag":"2805113509","pmid":"https://pubmed.ncbi.nlm.nih.gov/29897322"},"language":"en","primary_location":{"id":"doi:10.1186/s12859-018-2196-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-018-2196-0","pdf_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-018-2196-0","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"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":"BMC Bioinformatics","raw_type":"journal-article"},"type":"article","indexed_in":["crossref","doaj","pubmed"],"open_access":{"is_oa":true,"oa_status":"gold","oa_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-018-2196-0","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5082698902","display_name":"Kyungrin Noh","orcid":null},"institutions":[],"countries":[],"is_corresponding":false,"raw_author_name":"Kyungrin Noh","raw_affiliation_strings":["Bio-Synergy Research Center, Daejeon, 34141, South Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bio-Synergy Research Center, Daejeon, 34141, South Korea","institution_ids":[]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5011781650","display_name":"Sunyong Yoo","orcid":"https://orcid.org/0000-0003-0925-1853"},"institutions":[{"id":"https://openalex.org/I157485424","display_name":"Korea Advanced Institute of Science and Technology","ror":"https://ror.org/05apxxy63","country_code":"KR","type":"education","lineage":["https://openalex.org/I157485424"]}],"countries":["KR"],"is_corresponding":false,"raw_author_name":"Sunyong Yoo","raw_affiliation_strings":["Bio-Synergy Research Center, Daejeon, 34141, South Korea","Department of Bio and Brain Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, South Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bio-Synergy Research Center, Daejeon, 34141, South Korea","institution_ids":[]},{"raw_affiliation_string":"Department of Bio and Brain Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, South Korea","institution_ids":["https://openalex.org/I157485424"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5037879375","display_name":"Doheon Lee","orcid":"https://orcid.org/0000-0001-9070-4316"},"institutions":[{"id":"https://openalex.org/I157485424","display_name":"Korea Advanced Institute of Science and Technology","ror":"https://ror.org/05apxxy63","country_code":"KR","type":"education","lineage":["https://openalex.org/I157485424"]},{"id":"https://openalex.org/I4210110126","display_name":"Intelligent Synthetic Biology Center","ror":"https://ror.org/023dqar74","country_code":"KR","type":"other","lineage":["https://openalex.org/I157485424","https://openalex.org/I4210110126"]}],"countries":["KR"],"is_corresponding":true,"raw_author_name":"Doheon Lee","raw_affiliation_strings":["Bio-Synergy Research Center, Daejeon, 34141, South Korea. dhlee@kaist.ac.kr","Department of Bio and Brain Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, South Korea. dhlee@kaist.ac.kr","Bio-Synergy Research Center, Daejeon, 34141, South Korea"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Bio-Synergy Research Center, Daejeon, 34141, South Korea. dhlee@kaist.ac.kr","institution_ids":["https://openalex.org/I4210110126"]},{"raw_affiliation_string":"Department of Bio and Brain Engineering, Korea Advanced Institute of Science and Technology (KAIST), Daejeon, 34141, South Korea. dhlee@kaist.ac.kr","institution_ids":["https://openalex.org/I157485424"]},{"raw_affiliation_string":"Bio-Synergy Research Center, Daejeon, 34141, South Korea","institution_ids":[]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":2,"corresponding_author_ids":["https://openalex.org/A5037879375"],"corresponding_institution_ids":["https://openalex.org/I157485424","https://openalex.org/I4210110126"],"apc_list":{"value":2790,"currency":"USD","value_usd":2790},"apc_paid":{"value":2790,"currency":"USD","value_usd":2790},"fwci":0.1648,"has_fulltext":true,"cited_by_count":6,"citation_normalized_percentile":{"value":0.47842616,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":97},"biblio":{"volume":"19","issue":"S8","first_page":"205","last_page":"205"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.41130000352859497,"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"}},"topics":[{"id":"https://openalex.org/T12254","display_name":"Machine Learning in Bioinformatics","score":0.41130000352859497,"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/T10211","display_name":"Computational Drug Discovery Methods","score":0.4004000127315521,"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/T11710","display_name":"Biomedical Text Mining and Ontologies","score":0.02019999921321869,"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/computational-biology","display_name":"Computational biology","score":0.6309974193572998},{"id":"https://openalex.org/keywords/metabolite","display_name":"Metabolite","score":0.587722897529602},{"id":"https://openalex.org/keywords/dna-microarray","display_name":"DNA microarray","score":0.564803957939148},{"id":"https://openalex.org/keywords/natural","display_name":"Natural (archaeology)","score":0.5408812165260315},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.4659707546234131},{"id":"https://openalex.org/keywords/data-science","display_name":"Data science","score":0.34766387939453125},{"id":"https://openalex.org/keywords/biochemical-engineering","display_name":"Biochemical engineering","score":0.3330857455730438},{"id":"https://openalex.org/keywords/bioinformatics","display_name":"Bioinformatics","score":0.3228250741958618},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.311143696308136},{"id":"https://openalex.org/keywords/genetics","display_name":"Genetics","score":0.15657773613929749},{"id":"https://openalex.org/keywords/biochemistry","display_name":"Biochemistry","score":0.14638358354568481},{"id":"https://openalex.org/keywords/gene-expression","display_name":"Gene expression","score":0.13885006308555603},{"id":"https://openalex.org/keywords/gene","display_name":"Gene","score":0.12802910804748535},{"id":"https://openalex.org/keywords/engineering","display_name":"Engineering","score":0.12283289432525635}],"concepts":[{"id":"https://openalex.org/C70721500","wikidata":"https://www.wikidata.org/wiki/Q177005","display_name":"Computational biology","level":1,"score":0.6309974193572998},{"id":"https://openalex.org/C2777477808","wikidata":"https://www.wikidata.org/wiki/Q407595","display_name":"Metabolite","level":2,"score":0.587722897529602},{"id":"https://openalex.org/C95371953","wikidata":"https://www.wikidata.org/wiki/Q591745","display_name":"DNA microarray","level":4,"score":0.564803957939148},{"id":"https://openalex.org/C2776608160","wikidata":"https://www.wikidata.org/wiki/Q4785462","display_name":"Natural (archaeology)","level":2,"score":0.5408812165260315},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.4659707546234131},{"id":"https://openalex.org/C2522767166","wikidata":"https://www.wikidata.org/wiki/Q2374463","display_name":"Data science","level":1,"score":0.34766387939453125},{"id":"https://openalex.org/C183696295","wikidata":"https://www.wikidata.org/wiki/Q2487696","display_name":"Biochemical engineering","level":1,"score":0.3330857455730438},{"id":"https://openalex.org/C60644358","wikidata":"https://www.wikidata.org/wiki/Q128570","display_name":"Bioinformatics","level":1,"score":0.3228250741958618},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.311143696308136},{"id":"https://openalex.org/C54355233","wikidata":"https://www.wikidata.org/wiki/Q7162","display_name":"Genetics","level":1,"score":0.15657773613929749},{"id":"https://openalex.org/C55493867","wikidata":"https://www.wikidata.org/wiki/Q7094","display_name":"Biochemistry","level":1,"score":0.14638358354568481},{"id":"https://openalex.org/C150194340","wikidata":"https://www.wikidata.org/wiki/Q26972","display_name":"Gene expression","level":3,"score":0.13885006308555603},{"id":"https://openalex.org/C104317684","wikidata":"https://www.wikidata.org/wiki/Q7187","display_name":"Gene","level":2,"score":0.12802910804748535},{"id":"https://openalex.org/C127413603","wikidata":"https://www.wikidata.org/wiki/Q11023","display_name":"Engineering","level":0,"score":0.12283289432525635},{"id":"https://openalex.org/C151730666","wikidata":"https://www.wikidata.org/wiki/Q7205","display_name":"Paleontology","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000494","qualifier_name":"pharmacology","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D001688","descriptor_name":"Biological Products","qualifier_ui":"Q000737","qualifier_name":"chemistry","is_major_topic":false},{"descriptor_ui":"D002965","descriptor_name":"Classification","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D002965","descriptor_name":"Classification","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D002965","descriptor_name":"Classification","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D003198","descriptor_name":"Computer Simulation","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":"D010641","descriptor_name":"Phenotype","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010641","descriptor_name":"Phenotype","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D010641","descriptor_name":"Phenotype","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012372","descriptor_name":"ROC Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D015203","descriptor_name":"Reproducibility of Results","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019540","descriptor_name":"Area Under Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019540","descriptor_name":"Area Under Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D019540","descriptor_name":"Area Under Curve","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D055442","descriptor_name":"Metabolome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D055442","descriptor_name":"Metabolome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false},{"descriptor_ui":"D055442","descriptor_name":"Metabolome","qualifier_ui":"Q000187","qualifier_name":"drug effects","is_major_topic":false}],"locations_count":5,"locations":[{"id":"doi:10.1186/s12859-018-2196-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-018-2196-0","pdf_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-018-2196-0","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"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":"BMC Bioinformatics","raw_type":"journal-article"},{"id":"pmid:29897322","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/29897322","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":"BMC bioinformatics","raw_type":null},{"id":"pmh:oai:doaj.org/article:507165ded8b94e4394d36693168282ff","is_oa":true,"landing_page_url":"https://doaj.org/article/507165ded8b94e4394d36693168282ff","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":"BMC Bioinformatics, Vol 19, Iss S8, Pp 49-55 (2018)","raw_type":"article"},{"id":"pmh:oai:europepmc.org:4965267","is_oa":true,"landing_page_url":"http://europepmc.org/pmc/articles/PMC5998763","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":"other-oa","license_id":"https://openalex.org/licenses/other-oa","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"","raw_type":"Text"},{"id":"pmh:oai:pubmedcentral.nih.gov:5998763","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/5998763","pdf_url":null,"source":{"id":"https://openalex.org/S2764455111","display_name":"PubMed Central","issn_l":null,"issn":null,"is_oa":true,"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":"cc-by","license_id":"https://openalex.org/licenses/cc-by","version":"submittedVersion","is_accepted":false,"is_published":false,"raw_source_name":"BMC Bioinformatics","raw_type":"Text"}],"best_oa_location":{"id":"doi:10.1186/s12859-018-2196-0","is_oa":true,"landing_page_url":"https://doi.org/10.1186/s12859-018-2196-0","pdf_url":"https://bmcbioinformatics.biomedcentral.com/track/pdf/10.1186/s12859-018-2196-0","source":{"id":"https://openalex.org/S19032547","display_name":"BMC Bioinformatics","issn_l":"1471-2105","issn":["1471-2105"],"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":"BMC Bioinformatics","raw_type":"journal-article"},"sustainable_development_goals":[],"awards":[{"id":"https://openalex.org/G6340052926","display_name":null,"funder_award_id":"NRF-2012M3A9C4048758","funder_id":"https://openalex.org/F4320322030","funder_display_name":"Ministry of Science, ICT and Future Planning"},{"id":"https://openalex.org/G6748919361","display_name":null,"funder_award_id":"2012M3A9C4048758","funder_id":"https://openalex.org/F4320322030","funder_display_name":"Ministry of Science, ICT and Future Planning"}],"funders":[{"id":"https://openalex.org/F4320320671","display_name":"National Research Foundation","ror":"https://ror.org/05s0g1g46"},{"id":"https://openalex.org/F4320322030","display_name":"Ministry of Science, ICT and Future Planning","ror":"https://ror.org/032e49973"}],"has_content":{"grobid_xml":true,"pdf":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2805113509.pdf","grobid_xml":"https://content.openalex.org/works/W2805113509.grobid-xml"},"referenced_works_count":28,"referenced_works":["https://openalex.org/W1972978214","https://openalex.org/W1973885713","https://openalex.org/W1975414584","https://openalex.org/W1990555250","https://openalex.org/W1994676913","https://openalex.org/W1996935441","https://openalex.org/W2001783515","https://openalex.org/W2018518196","https://openalex.org/W2028279608","https://openalex.org/W2033588393","https://openalex.org/W2072144772","https://openalex.org/W2081969016","https://openalex.org/W2098889731","https://openalex.org/W2112403717","https://openalex.org/W2139736926","https://openalex.org/W2143000571","https://openalex.org/W2145877930","https://openalex.org/W2154896031","https://openalex.org/W2156077095","https://openalex.org/W2159482845","https://openalex.org/W2165681080","https://openalex.org/W2167141095","https://openalex.org/W2169353679","https://openalex.org/W2256742438","https://openalex.org/W2300271947","https://openalex.org/W2315632225","https://openalex.org/W2740195587","https://openalex.org/W4294216483"],"related_works":["https://openalex.org/W2521903434","https://openalex.org/W1753739957","https://openalex.org/W2085913165","https://openalex.org/W2011282322","https://openalex.org/W2024044986","https://openalex.org/W2005550771","https://openalex.org/W323632276","https://openalex.org/W2418404479","https://openalex.org/W2016858531","https://openalex.org/W2078089453"],"abstract_inverted_index":{"BACKGROUND:":[0],"Natural":[1],"products":[2,49,69,90,136,161,193,208,236],"have":[3,35],"been":[4,54],"widely":[5],"investigated":[6],"in":[7,244],"the":[8,27,45,82,104,133,168,187,195,223],"drug":[9,31],"development":[10],"field.":[11],"Their":[12],"traditional":[13],"use":[14],"cases":[15],"as":[16],"medicinal":[17],"agents":[18],"and":[19,50,85,91,97,119,151,162,182,213],"their":[20,72,139,177],"resemblance":[21,46],"of":[22,29,41,47,67,100,126,191,218,234],"our":[23,144,154,203],"endogenous":[24],"compounds":[25],"show":[26],"possibility":[28],"new":[30,232],"development.":[32],"Many":[33],"researchers":[34],"focused":[36],"on":[37,71],"identifying":[38],"therapeutic":[39,65,140,189,216],"effects":[40,66,190,217],"natural":[42,48,68,89,117,135,160,169,192,207,219,235],"products,":[43],"yet":[44],"human":[51,75,92,120,127,163,211,225],"metabolites":[52,93,128,212],"has":[53],"rarely":[55],"touched.":[56],"METHODS:":[57],"We":[58,184],"propose":[59],"a":[60],"novel":[61],"method":[62],"which":[63,237],"predicts":[64],"based":[70],"similarity":[73,106],"with":[74,179,194],"metabolites.":[76,164],"In":[77],"this":[78],"study,":[79],"we":[80,108,173,228],"compare":[81],"structure,":[83,149],"target":[84,150],"phenotype":[86,152],"similarities":[87],"between":[88],"to":[94,114,132,137,167,209,230],"capture":[95],"molecular":[96],"phenotypic":[98],"properties":[99],"both":[101],"compounds.":[102],"With":[103,143],"generated":[105],"features,":[107],"train":[109],"support":[110],"vector":[111],"machine":[112],"model":[113,156,204],"identify":[115,176],"similar":[116,159,210,224],"product":[118,170],"metabolite":[121,226],"pairs.":[122],"The":[123],"known":[124],"functions":[125],"are":[129],"then":[130],"mapped":[131],"paired":[134,158],"predict":[138],"effects.":[141],"RESULTS:":[142],"selected":[145],"three":[146],"feature":[147],"sets,":[148],"similarities,":[153],"trained":[155],"successfully":[157,175],"When":[165],"applied":[166],"derived":[171],"drugs,":[172],"could":[174,238],"indications":[178,233],"high":[180],"specificity":[181],"sensitivity.":[183],"further":[185],"validated":[186],"found":[188],"literature":[196],"evidence.":[197],"CONCLUSIONS:":[198],"These":[199],"results":[200],"suggest":[201],"that":[202],"can":[205],"match":[206],"provide":[214],"possible":[215],"products.":[220],"By":[221],"utilizing":[222],"information,":[227],"expect":[229],"find":[231],"not":[239],"be":[240],"covered":[241],"by":[242],"previous":[243],"silico":[245],"methods.":[246]},"counts_by_year":[{"year":2026,"cited_by_count":1},{"year":2025,"cited_by_count":1},{"year":2023,"cited_by_count":2},{"year":2021,"cited_by_count":1},{"year":2020,"cited_by_count":1}],"updated_date":"2026-07-23T08:03:31.855105","created_date":"2025-10-10T00:00:00"}