{"id":"https://openalex.org/W2066767544","doi":"https://doi.org/10.1186/1471-2105-12-337","title":"IQMNMR: Open source software using time-domain NMR data for automated identification and quantification of metabolites in batches","display_name":"IQMNMR: Open source software using time-domain NMR data for automated identification and quantification of metabolites in batches","publication_year":2011,"publication_date":"2011-08-12","ids":{"openalex":"https://openalex.org/W2066767544","doi":"https://doi.org/10.1186/1471-2105-12-337","mag":"2066767544","pmid":"https://pubmed.ncbi.nlm.nih.gov/21838867"},"language":"en","primary_location":{"id":"doi:10.1186/1471-2105-12-337","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1471-2105-12-337","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/1471-2105-12-337","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/counter/pdf/10.1186/1471-2105-12-337","any_repository_has_fulltext":true},"authorships":[{"author_position":"first","author":{"id":"https://openalex.org/A5102024425","display_name":"Song Xu","orcid":"https://orcid.org/0000-0002-8207-9781"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]},{"id":"https://openalex.org/I38877650","display_name":"Zhengzhou University","ror":"https://ror.org/04ypx8c21","country_code":"CN","type":"education","lineage":["https://openalex.org/I38877650"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xu Song","raw_affiliation_strings":["Department of Chinese Medicinal Prescription, China Pharmaceutical University, Nanjing, China","School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chinese Medicinal Prescription, China Pharmaceutical University, Nanjing, China","institution_ids":["https://openalex.org/I161716053"]},{"raw_affiliation_string":"School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, China","institution_ids":["https://openalex.org/I38877650"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5074964630","display_name":"Boli Zhang","orcid":"https://orcid.org/0000-0001-5129-9100"},"institutions":[{"id":"https://openalex.org/I12411659","display_name":"Tianjin University of Traditional Chinese Medicine","ror":"https://ror.org/05dfcz246","country_code":"CN","type":"education","lineage":["https://openalex.org/I12411659"]},{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Bo-Li Zhang","raw_affiliation_strings":["Department of Chinese Medicinal Prescription, China Pharmaceutical University, Nanjing, China","State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chinese Medicinal Prescription, China Pharmaceutical University, Nanjing, China","institution_ids":["https://openalex.org/I161716053"]},{"raw_affiliation_string":"State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China","institution_ids":["https://openalex.org/I12411659"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5108581506","display_name":"Hong-Min Liu","orcid":null},"institutions":[{"id":"https://openalex.org/I38877650","display_name":"Zhengzhou University","ror":"https://ror.org/04ypx8c21","country_code":"CN","type":"education","lineage":["https://openalex.org/I38877650"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Hong-Min Liu","raw_affiliation_strings":["School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"School of Pharmaceutical Sciences, Zhengzhou University, Zhengzhou, China","institution_ids":["https://openalex.org/I38877650"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5020248771","display_name":"Boyang Yu","orcid":"https://orcid.org/0000-0002-1401-9250"},"institutions":[{"id":"https://openalex.org/I161716053","display_name":"China Pharmaceutical University","ror":"https://ror.org/01sfm2718","country_code":"CN","type":"education","lineage":["https://openalex.org/I161716053"]}],"countries":["CN"],"is_corresponding":true,"raw_author_name":"Bo-Yang Yu","raw_affiliation_strings":["Department of Chinese Medicinal Prescription, China Pharmaceutical University, Nanjing, China"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"Department of Chinese Medicinal Prescription, China Pharmaceutical University, Nanjing, China","institution_ids":["https://openalex.org/I161716053"]}]},{"author_position":"middle","author":{"id":"https://openalex.org/A5101933550","display_name":"Xiumei Gao","orcid":"https://orcid.org/0009-0002-2518-235X"},"institutions":[{"id":"https://openalex.org/I12411659","display_name":"Tianjin University of Traditional Chinese Medicine","ror":"https://ror.org/05dfcz246","country_code":"CN","type":"education","lineage":["https://openalex.org/I12411659"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Xiu-Mei Gao","raw_affiliation_strings":["State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China","State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China;"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China","institution_ids":["https://openalex.org/I12411659"]},{"raw_affiliation_string":"State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China;","institution_ids":["https://openalex.org/I12411659"]}]},{"author_position":"last","author":{"id":"https://openalex.org/A5112121385","display_name":"Li\u2010Yuan Kang","orcid":null},"institutions":[{"id":"https://openalex.org/I12411659","display_name":"Tianjin University of Traditional Chinese Medicine","ror":"https://ror.org/05dfcz246","country_code":"CN","type":"education","lineage":["https://openalex.org/I12411659"]}],"countries":["CN"],"is_corresponding":false,"raw_author_name":"Li-Yuan Kang","raw_affiliation_strings":["State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China","State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China;"],"raw_orcid":null,"affiliations":[{"raw_affiliation_string":"State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China","institution_ids":["https://openalex.org/I12411659"]},{"raw_affiliation_string":"State Key Laboratory of Modern Chinese Medicine, Tianjin University of Traditional Chinese Medicine, Tianjin, China;","institution_ids":["https://openalex.org/I12411659"]}]}],"institutions":[],"countries_distinct_count":1,"institutions_distinct_count":3,"corresponding_author_ids":["https://openalex.org/A5020248771","https://openalex.org/A5074964630","https://openalex.org/A5108581506"],"corresponding_institution_ids":["https://openalex.org/I12411659","https://openalex.org/I161716053","https://openalex.org/I38877650"],"apc_list":{"value":2790,"currency":"USD","value_usd":2790},"apc_paid":{"value":2790,"currency":"USD","value_usd":2790},"fwci":0.2431,"has_fulltext":true,"cited_by_count":8,"citation_normalized_percentile":{"value":0.55353207,"is_in_top_1_percent":false,"is_in_top_10_percent":false},"cited_by_percentile_year":{"min":89,"max":96},"biblio":{"volume":"12","issue":"1","first_page":"337","last_page":"337"},"is_retracted":false,"is_paratext":false,"is_xpac":false,"primary_topic":{"id":"https://openalex.org/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9976000189781189,"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/T10836","display_name":"Metabolomics and Mass Spectrometry Studies","score":0.9976000189781189,"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/T10378","display_name":"Advanced MRI Techniques and Applications","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/2741","display_name":"Radiology, Nuclear Medicine and Imaging"},"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/T12603","display_name":"NMR spectroscopy and applications","score":0.0003000000142492354,"subfield":{"id":"https://openalex.org/subfields/3106","display_name":"Nuclear and High Energy Physics"},"field":{"id":"https://openalex.org/fields/31","display_name":"Physics and Astronomy"},"domain":{"id":"https://openalex.org/domains/3","display_name":"Physical Sciences"}}],"keywords":[{"id":"https://openalex.org/keywords/metabolomics","display_name":"Metabolomics","score":0.7188760638237},{"id":"https://openalex.org/keywords/computer-science","display_name":"Computer science","score":0.5714015960693359},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance-spectroscopy","display_name":"Nuclear magnetic resonance spectroscopy","score":0.5549288988113403},{"id":"https://openalex.org/keywords/software","display_name":"Software","score":0.5463576316833496},{"id":"https://openalex.org/keywords/identification","display_name":"Identification (biology)","score":0.5132045745849609},{"id":"https://openalex.org/keywords/relaxation","display_name":"Relaxation (psychology)","score":0.5115960240364075},{"id":"https://openalex.org/keywords/biological-system","display_name":"Biological system","score":0.48714062571525574},{"id":"https://openalex.org/keywords/time-domain","display_name":"Time domain","score":0.4353104531764984},{"id":"https://openalex.org/keywords/throughput","display_name":"Throughput","score":0.42595988512039185},{"id":"https://openalex.org/keywords/filter","display_name":"Filter (signal processing)","score":0.4169454872608185},{"id":"https://openalex.org/keywords/chemistry","display_name":"Chemistry","score":0.322593092918396},{"id":"https://openalex.org/keywords/data-mining","display_name":"Data mining","score":0.3222128748893738},{"id":"https://openalex.org/keywords/nuclear-magnetic-resonance","display_name":"Nuclear magnetic resonance","score":0.2691994905471802},{"id":"https://openalex.org/keywords/chromatography","display_name":"Chromatography","score":0.15007859468460083},{"id":"https://openalex.org/keywords/physics","display_name":"Physics","score":0.12555748224258423},{"id":"https://openalex.org/keywords/biology","display_name":"Biology","score":0.1108643114566803}],"concepts":[{"id":"https://openalex.org/C21565614","wikidata":"https://www.wikidata.org/wiki/Q12149006","display_name":"Metabolomics","level":2,"score":0.7188760638237},{"id":"https://openalex.org/C41008148","wikidata":"https://www.wikidata.org/wiki/Q21198","display_name":"Computer science","level":0,"score":0.5714015960693359},{"id":"https://openalex.org/C66974803","wikidata":"https://www.wikidata.org/wiki/Q10359898","display_name":"Nuclear magnetic resonance spectroscopy","level":2,"score":0.5549288988113403},{"id":"https://openalex.org/C2777904410","wikidata":"https://www.wikidata.org/wiki/Q7397","display_name":"Software","level":2,"score":0.5463576316833496},{"id":"https://openalex.org/C116834253","wikidata":"https://www.wikidata.org/wiki/Q2039217","display_name":"Identification (biology)","level":2,"score":0.5132045745849609},{"id":"https://openalex.org/C2776029896","wikidata":"https://www.wikidata.org/wiki/Q3935810","display_name":"Relaxation (psychology)","level":2,"score":0.5115960240364075},{"id":"https://openalex.org/C186060115","wikidata":"https://www.wikidata.org/wiki/Q30336093","display_name":"Biological system","level":1,"score":0.48714062571525574},{"id":"https://openalex.org/C103824480","wikidata":"https://www.wikidata.org/wiki/Q185889","display_name":"Time domain","level":2,"score":0.4353104531764984},{"id":"https://openalex.org/C157764524","wikidata":"https://www.wikidata.org/wiki/Q1383412","display_name":"Throughput","level":3,"score":0.42595988512039185},{"id":"https://openalex.org/C106131492","wikidata":"https://www.wikidata.org/wiki/Q3072260","display_name":"Filter (signal processing)","level":2,"score":0.4169454872608185},{"id":"https://openalex.org/C185592680","wikidata":"https://www.wikidata.org/wiki/Q2329","display_name":"Chemistry","level":0,"score":0.322593092918396},{"id":"https://openalex.org/C124101348","wikidata":"https://www.wikidata.org/wiki/Q172491","display_name":"Data mining","level":1,"score":0.3222128748893738},{"id":"https://openalex.org/C46141821","wikidata":"https://www.wikidata.org/wiki/Q209402","display_name":"Nuclear magnetic resonance","level":1,"score":0.2691994905471802},{"id":"https://openalex.org/C43617362","wikidata":"https://www.wikidata.org/wiki/Q170050","display_name":"Chromatography","level":1,"score":0.15007859468460083},{"id":"https://openalex.org/C121332964","wikidata":"https://www.wikidata.org/wiki/Q413","display_name":"Physics","level":0,"score":0.12555748224258423},{"id":"https://openalex.org/C86803240","wikidata":"https://www.wikidata.org/wiki/Q420","display_name":"Biology","level":0,"score":0.1108643114566803},{"id":"https://openalex.org/C76155785","wikidata":"https://www.wikidata.org/wiki/Q418","display_name":"Telecommunications","level":1,"score":0.0},{"id":"https://openalex.org/C31972630","wikidata":"https://www.wikidata.org/wiki/Q844240","display_name":"Computer vision","level":1,"score":0.0},{"id":"https://openalex.org/C59822182","wikidata":"https://www.wikidata.org/wiki/Q441","display_name":"Botany","level":1,"score":0.0},{"id":"https://openalex.org/C169760540","wikidata":"https://www.wikidata.org/wiki/Q207011","display_name":"Neuroscience","level":1,"score":0.0},{"id":"https://openalex.org/C555944384","wikidata":"https://www.wikidata.org/wiki/Q249","display_name":"Wireless","level":2,"score":0.0},{"id":"https://openalex.org/C199360897","wikidata":"https://www.wikidata.org/wiki/Q9143","display_name":"Programming language","level":1,"score":0.0}],"mesh":[{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D000465","descriptor_name":"Algorithms","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001331","descriptor_name":"Automation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001331","descriptor_name":"Automation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001331","descriptor_name":"Automation","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D001331","descriptor_name":"Automation","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":"D006801","descriptor_name":"Humans","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008279","descriptor_name":"Magnetic Resonance Imaging","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008279","descriptor_name":"Magnetic Resonance Imaging","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008279","descriptor_name":"Magnetic Resonance Imaging","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D008279","descriptor_name":"Magnetic Resonance Imaging","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D009682","descriptor_name":"Magnetic Resonance Spectroscopy","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D011522","descriptor_name":"Protons","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D012984","descriptor_name":"Software","qualifier_ui":null,"qualifier_name":null,"is_major_topic":true},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D055432","descriptor_name":"Metabolomics","qualifier_ui":"Q000379","qualifier_name":"methods","is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false},{"descriptor_ui":"D057188","descriptor_name":"Workflow","qualifier_ui":null,"qualifier_name":null,"is_major_topic":false}],"locations_count":4,"locations":[{"id":"doi:10.1186/1471-2105-12-337","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1471-2105-12-337","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/1471-2105-12-337","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:21838867","is_oa":false,"landing_page_url":"https://pubmed.ncbi.nlm.nih.gov/21838867","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:pubmedcentral.nih.gov:3169537","is_oa":true,"landing_page_url":"https://www.ncbi.nlm.nih.gov/pmc/articles/3169537","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"},{"id":"pmh:oai:doaj.org/article:d667ec2e157b461eb200cce90779c91c","is_oa":true,"landing_page_url":"https://doaj.org/article/d667ec2e157b461eb200cce90779c91c","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 12, Iss 1, p 337 (2011)","raw_type":"article"}],"best_oa_location":{"id":"doi:10.1186/1471-2105-12-337","is_oa":true,"landing_page_url":"https://doi.org/10.1186/1471-2105-12-337","pdf_url":"https://bmcbioinformatics.biomedcentral.com/counter/pdf/10.1186/1471-2105-12-337","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":[],"funders":[{"id":"https://openalex.org/F4320335777","display_name":"National Key Research and Development Program of China","ror":null}],"has_content":{"pdf":true,"grobid_xml":true},"content_urls":{"pdf":"https://content.openalex.org/works/W2066767544.pdf","grobid_xml":"https://content.openalex.org/works/W2066767544.grobid-xml"},"referenced_works_count":23,"referenced_works":["https://openalex.org/W1528553849","https://openalex.org/W1964493191","https://openalex.org/W1966981724","https://openalex.org/W1981756208","https://openalex.org/W1983624870","https://openalex.org/W1987062257","https://openalex.org/W2020332524","https://openalex.org/W2025688234","https://openalex.org/W2025953000","https://openalex.org/W2028240481","https://openalex.org/W2032635833","https://openalex.org/W2033138247","https://openalex.org/W2050339395","https://openalex.org/W2064913147","https://openalex.org/W2069423534","https://openalex.org/W2077155943","https://openalex.org/W2079153738","https://openalex.org/W2081160245","https://openalex.org/W2103773262","https://openalex.org/W2131032650","https://openalex.org/W2156893865","https://openalex.org/W2164721288","https://openalex.org/W2169328938"],"related_works":["https://openalex.org/W4283390424","https://openalex.org/W2137270828","https://openalex.org/W1976072307","https://openalex.org/W4205440119","https://openalex.org/W1561393703","https://openalex.org/W4292104203","https://openalex.org/W2040768604","https://openalex.org/W2096576371","https://openalex.org/W3095447638","https://openalex.org/W2030917828"],"abstract_inverted_index":{"BACKGROUND:":[0],"One":[1],"of":[2,7,24,41,51,82,188,230,234],"the":[3,39,45],"most":[4,81,183],"promising":[5],"aspects":[6],"metabolomics":[8,42],"is":[9,18,28,56,148,174,242],"metabolic":[10,238],"modeling":[11,239],"and":[12,22,32,49,78,93,96,112,117,136,179,182,200,215,224,240],"simulation.":[13],"Central":[14],"to":[15,157,226,237],"such":[16],"applications":[17],"automated":[19,46],"high-throughput":[20,47],"identification":[21,48],"quantification":[23,50],"metabolites.":[25,190],"NMR":[26,54,170,206,222],"spectroscopy":[27,55],"a":[29,131,149,186,194,228],"reproducible,":[30],"nondestructive,":[31],"nonselective":[33],"method":[34],"that":[35,129,146,196],"has":[36],"served":[37],"as":[38,73,75],"foundation":[40],"studies.":[43,101],"However,":[44],"metabolites":[52,119,202,232],"in":[53,99,120,145],"limited":[57],"by":[58,90,176,203],"severe":[59],"spectral":[60],"overlap.":[61],"Although":[62],"numerous":[63],"software":[64,144],"programs":[65,84,105],"have":[66],"been":[67],"developed":[68],"for":[69,76,109,219],"resolving":[70],"overlapping":[71,159],"resonances,":[72],"well":[74],"identifying":[77],"quantifying":[79],"metabolites,":[80],"these":[83,104],"are":[85,233],"frequency-domain":[86],"methods,":[87],"considerably":[88],"influenced":[89],"phase":[91,177,213],"shifts":[92,178,214],"baseline":[94,180,216],"distortions,":[95,217],"effective":[97],"only":[98,155,168,220],"small-scale":[100],"Almost":[102],"all":[103],"require":[106],"multiple":[107],"spectra":[108],"each":[110],"application,":[111],"do":[113],"not":[114,154],"automatically":[115,198],"identify":[116,199],"quantify":[118,201],"batches.":[121],"RESULTS:":[122],"We":[123],"created":[124],"IQMNMR,":[125],"an":[126],"R":[127],"package":[128],"integrates":[130],"relaxation":[132,163],"algorithm,":[133],"digital":[134],"filter,":[135],"similarity":[137],"search":[138],"algorithm.":[139],"It":[140],"differs":[141],"from":[142],"existing":[143],"it":[147,152,166],"time-domain":[150,209],"method;":[151],"uses":[153],"frequency":[156],"resolve":[158],"resonances":[160],"but":[161],"also":[162],"time":[164],"constants;":[165],"requires":[167],"one":[169,221],"spectrum":[171],"per":[172],"application;":[173],"uninfluenced":[175],"distortions;":[181],"important,":[184],"yields":[185],"batch":[187,229],"quantified":[189,231],"CONCLUSIONS:":[191],"IQMNMR":[192],"provides":[193],"solution":[195],"can":[197],"one-dimensional":[204],"proton":[205],"spectroscopy.":[207],"Its":[208],"nature,":[210],"stability":[211],"against":[212],"requirement":[218],"spectrum,":[223],"capability":[225],"output":[227],"considerable":[235],"significance":[236],"simulation.IQMNMR":[241],"available":[243],"at":[244],"http://cran.r-project.org/web/packages/IQMNMR/.":[245]},"counts_by_year":[{"year":2020,"cited_by_count":1},{"year":2018,"cited_by_count":1},{"year":2017,"cited_by_count":2},{"year":2016,"cited_by_count":1},{"year":2015,"cited_by_count":1},{"year":2014,"cited_by_count":2}],"updated_date":"2026-08-11T07:18:39.950985","created_date":"2025-10-10T00:00:00"}
