Get quick answers to your questions about the article from our AI researcher chatbot
{'id': 'https://openalex.org/W2335539733', 'doi': 'https://doi.org/10.1021/ac400237w', 'title': 'Combining Spectral Ordering with Peak Fitting for One-Dimensional NMR Quantitative Metabolomics', 'display_name': 'Combining Spectral Ordering with Peak Fitting for One-Dimensional NMR Quantitative Metabolomics', 'publication_year': 2013, 'publication_date': '2013-03-25', 'ids': {'openalex': 'https://openalex.org/W2335539733', 'doi': 'https://doi.org/10.1021/ac400237w', 'mag': '2335539733', 'pmid': 'https://pubmed.ncbi.nlm.nih.gov/23521721'}, 'language': 'en', 'primary_location': {'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ac400237w', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S191963794', 'display_name': 'Analytical Chemistry', 'issn_l': '0003-2700', 'issn': ['0003-2700', '1520-6882'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, 'type': 'article', 'type_crossref': 'journal-article', 'indexed_in': ['crossref', 'pubmed'], 'open_access': {'is_oa': False, 'oa_status': 'closed', 'oa_url': None, 'any_repository_has_fulltext': False}, 'authorships': [{'author_position': 'first', 'author': {'id': 'https://openalex.org/A5044804685', 'display_name': 'Manuel Liebeke', 'orcid': 'https://orcid.org/0000-0002-2339-1409'}, 'institutions': [{'id': 'https://openalex.org/I47508984', 'display_name': 'Imperial College London', 'ror': 'https://ror.org/041kmwe10', 'country_code': 'GB', 'type': 'education', 'lineage': ['https://openalex.org/I47508984']}], 'countries': ['GB'], 'is_corresponding': False, 'raw_author_name': 'Manuel Liebeke', 'raw_affiliation_strings': ['Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.'], 'affiliations': [{'raw_affiliation_string': 'Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.', 'institution_ids': ['https://openalex.org/I47508984']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5108059994', 'display_name': 'Jie Hao', 'orcid': 'https://orcid.org/0000-0002-0273-8047'}, 'institutions': [{'id': 'https://openalex.org/I47508984', 'display_name': 'Imperial College London', 'ror': 'https://ror.org/041kmwe10', 'country_code': 'GB', 'type': 'education', 'lineage': ['https://openalex.org/I47508984']}], 'countries': ['GB'], 'is_corresponding': False, 'raw_author_name': 'Jie Hao', 'raw_affiliation_strings': ['Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.'], 'affiliations': [{'raw_affiliation_string': 'Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.', 'institution_ids': ['https://openalex.org/I47508984']}]}, {'author_position': 'middle', 'author': {'id': 'https://openalex.org/A5056339769', 'display_name': 'Timothy M. D. Ebbels', 'orcid': 'https://orcid.org/0000-0002-3372-8423'}, 'institutions': [{'id': 'https://openalex.org/I47508984', 'display_name': 'Imperial College London', 'ror': 'https://ror.org/041kmwe10', 'country_code': 'GB', 'type': 'education', 'lineage': ['https://openalex.org/I47508984']}], 'countries': ['GB'], 'is_corresponding': False, 'raw_author_name': 'Timothy M. D. Ebbels', 'raw_affiliation_strings': ['Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.'], 'affiliations': [{'raw_affiliation_string': 'Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.', 'institution_ids': ['https://openalex.org/I47508984']}]}, {'author_position': 'last', 'author': {'id': 'https://openalex.org/A5064846441', 'display_name': 'Jacob G. Bundy', 'orcid': 'https://orcid.org/0000-0002-1164-8465'}, 'institutions': [{'id': 'https://openalex.org/I47508984', 'display_name': 'Imperial College London', 'ror': 'https://ror.org/041kmwe10', 'country_code': 'GB', 'type': 'education', 'lineage': ['https://openalex.org/I47508984']}], 'countries': ['GB'], 'is_corresponding': False, 'raw_author_name': 'Jacob G. Bundy', 'raw_affiliation_strings': ['Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.'], 'affiliations': [{'raw_affiliation_string': 'Department of Surgery and Cancer, Imperial College London, Sir Alexander Fleming Building, London\rSW7 2AZ, U.K.', 'institution_ids': ['https://openalex.org/I47508984']}]}], 'institution_assertions': [], 'countries_distinct_count': 1, 'institutions_distinct_count': 1, 'corresponding_author_ids': [], 'corresponding_institution_ids': [], 'apc_list': None, 'apc_paid': None, 'fwci': 1.289, 'has_fulltext': True, 'fulltext_origin': 'ngrams', 'cited_by_count': 20, 'citation_normalized_percentile': {'value': 0.757854, 'is_in_top_1_percent': False, 'is_in_top_10_percent': False}, 'cited_by_percentile_year': {'min': 90, 'max': 91}, 'biblio': {'volume': '85', 'issue': '9', 'first_page': '4605', 'last_page': '4612'}, 'is_retracted': False, 'is_paratext': False, 'primary_topic': {'id': 'https://openalex.org/T10836', 'display_name': 'Metabolomics and Mass Spectrometry Studies', 'score': 0.9999, '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': 0.9999, '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': 0.9904, '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'}}, {'id': 'https://openalex.org/T10885', 'display_name': 'Gene expression and cancer classification', 'score': 0.9878, '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/data-set', 'display_name': 'Data set', 'score': 0.47030157}, {'id': 'https://openalex.org/keywords/cutoff', 'display_name': 'Cut-off', 'score': 0.4158252}], 'concepts': [{'id': 'https://openalex.org/C174576160', 'wikidata': 'https://www.wikidata.org/wiki/Q1183700', 'display_name': 'Deconvolution', 'level': 2, 'score': 0.8838242}, {'id': 'https://openalex.org/C185592680', 'wikidata': 'https://www.wikidata.org/wiki/Q2329', 'display_name': 'Chemistry', 'level': 0, 'score': 0.5878363}, {'id': 'https://openalex.org/C4839761', 'wikidata': 'https://www.wikidata.org/wiki/Q212111', 'display_name': 'Spectral line', 'level': 2, 'score': 0.5051549}, {'id': 'https://openalex.org/C107673813', 'wikidata': 'https://www.wikidata.org/wiki/Q812534', 'display_name': 'Bayesian probability', 'level': 2, 'score': 0.49150595}, {'id': 'https://openalex.org/C58489278', 'wikidata': 'https://www.wikidata.org/wiki/Q1172284', 'display_name': 'Data set', 'level': 2, 'score': 0.47030157}, {'id': 'https://openalex.org/C67787023', 'wikidata': 'https://www.wikidata.org/wiki/Q6954755', 'display_name': 'NMR spectra database', 'level': 3, 'score': 0.46378955}, {'id': 'https://openalex.org/C11413529', 'wikidata': 'https://www.wikidata.org/wiki/Q8366', 'display_name': 'Algorithm', 'level': 1, 'score': 0.46272388}, {'id': 'https://openalex.org/C186060115', 'wikidata': 'https://www.wikidata.org/wiki/Q30336093', 'display_name': 'Biological system', 'level': 1, 'score': 0.44219163}, {'id': 'https://openalex.org/C2778217198', 'wikidata': 'https://www.wikidata.org/wiki/Q556977', 'display_name': 'Cutoff', 'level': 2, 'score': 0.4158252}, {'id': 'https://openalex.org/C153180895', 'wikidata': 'https://www.wikidata.org/wiki/Q7148389', 'display_name': 'Pattern recognition (psychology)', 'level': 2, 'score': 0.34085944}, {'id': 'https://openalex.org/C41008148', 'wikidata': 'https://www.wikidata.org/wiki/Q21198', 'display_name': 'Computer science', 'level': 0, 'score': 0.28859514}, {'id': 'https://openalex.org/C154945302', 'wikidata': 'https://www.wikidata.org/wiki/Q11660', 'display_name': 'Artificial intelligence', 'level': 1, 'score': 0.25322604}, {'id': 'https://openalex.org/C121332964', 'wikidata': 'https://www.wikidata.org/wiki/Q413', 'display_name': 'Physics', 'level': 0, 'score': 0.093283355}, {'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/C1276947', 'wikidata': 'https://www.wikidata.org/wiki/Q333', 'display_name': 'Astronomy', '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': [{'descriptor_ui': 'D055432', 'descriptor_name': 'Metabolomics', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D019906', 'descriptor_name': 'Nuclear Magnetic Resonance, Biomolecular', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': True}, {'descriptor_ui': 'D000465', 'descriptor_name': 'Algorithms', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}, {'descriptor_ui': 'D012984', 'descriptor_name': 'Software', 'qualifier_ui': '', 'qualifier_name': None, 'is_major_topic': False}], 'locations_count': 2, 'locations': [{'is_oa': False, 'landing_page_url': 'https://doi.org/10.1021/ac400237w', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S191963794', 'display_name': 'Analytical Chemistry', 'issn_l': '0003-2700', 'issn': ['0003-2700', '1520-6882'], 'is_oa': False, 'is_in_doaj': False, 'is_core': True, 'host_organization': 'https://openalex.org/P4310320006', 'host_organization_name': 'American Chemical Society', 'host_organization_lineage': ['https://openalex.org/P4310320006'], 'host_organization_lineage_names': ['American Chemical Society'], 'type': 'journal'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}, {'is_oa': False, 'landing_page_url': 'https://pubmed.ncbi.nlm.nih.gov/23521721', 'pdf_url': None, 'source': {'id': 'https://openalex.org/S4306525036', 'display_name': 'PubMed', 'issn_l': None, 'issn': None, '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': ['National Institutes of Health'], 'type': 'repository'}, 'license': None, 'license_id': None, 'version': None, 'is_accepted': False, 'is_published': False}], 'best_oa_location': None, 'sustainable_development_goals': [], 'grants': [], 'datasets': [], 'versions': [], 'referenced_works_count': 36, 'referenced_works': ['https://openalex.org/W168966497', 'https://openalex.org/W1747625137', 'https://openalex.org/W1821683595', 'https://openalex.org/W1965824032', 'https://openalex.org/W1976875096', 'https://openalex.org/W1995279143', 'https://openalex.org/W1999517677', 'https://openalex.org/W2005088017', 'https://openalex.org/W2005105145', 'https://openalex.org/W2005594966', 'https://openalex.org/W2011897000', 'https://openalex.org/W2014001062', 'https://openalex.org/W2022395144', 'https://openalex.org/W2030531891', 'https://openalex.org/W2036176889', 'https://openalex.org/W2036583236', 'https://openalex.org/W2042516638', 'https://openalex.org/W2043389441', 'https://openalex.org/W2045074061', 'https://openalex.org/W2048684164', 'https://openalex.org/W2051366884', 'https://openalex.org/W2056417353', 'https://openalex.org/W2065691650', 'https://openalex.org/W2067022864', 'https://openalex.org/W2071313868', 'https://openalex.org/W2078520277', 'https://openalex.org/W2087481249', 'https://openalex.org/W2087954439', 'https://openalex.org/W2092061636', 'https://openalex.org/W2110155661', 'https://openalex.org/W2132239943', 'https://openalex.org/W2147852896', 'https://openalex.org/W2156405617', 'https://openalex.org/W2166192671', 'https://openalex.org/W2168715542', 'https://openalex.org/W2460340416'], 'related_works': ['https://openalex.org/W4312140488', 'https://openalex.org/W4311088073', 'https://openalex.org/W2776720670', 'https://openalex.org/W2060315210', 'https://openalex.org/W2053178356', 'https://openalex.org/W2049989995', 'https://openalex.org/W2004252084', 'https://openalex.org/W2000127225', 'https://openalex.org/W1986307464', 'https://openalex.org/W1983640658'], 'abstract_inverted_index': {'One-dimensional': [0], '(1)H': [1], 'NMR': [2, 82], 'spectra': [3, 56, 116], 'are': [4], 'widely': [5], 'used': [6], 'for': [7, 41, 189], 'metabolic': [8], 'profiling.': [9], 'Such': [10], 'data': [11, 45, 188], 'sets': [12], 'often': [13], 'contain': [14], 'hundreds': [15], 'or': [16, 89], 'thousands': [17], 'of': [18, 81, 114, 156, 177, 186], 'spectra,': [19], 'which': [20, 28], 'typically': [21], 'have': [22, 63, 73], 'variation': [23, 33], 'in': [24, 57, 160], 'their': [25], 'sample': [26], 'chemistry,': [27], 'leads': [29], 'to': [30, 66, 77, 101, 119, 127, 140, 146, 168, 173], 'chemical': [31], 'shift': [32], '"positional': [34], 'noise".': [35], 'This': [36, 175], 'is': [37], 'a': [38, 58, 143, 161], 'severe': [39], 'problem': [40], 'metabolite': [42], 'quantification': [43], 'and': [44, 85, 111, 124, 164, 172, 180], 'analysis,': [46], 'as': [47], 'peak': [48, 123, 148, 158, 170], 'integrals': [49], 'do': [50], 'not': [51], 'necessarily': [52], 'correspond': [53], 'across': [54], 'all': [55], 'set.': [59], 'Various': [60], 'alignment': [61, 83, 97, 130], 'algorithms': [62], 'been': [64], 'developed': [65], 'address': [67], 'this': [68, 126, 138], 'problem,': [69], 'but': [70], 'different': [71, 75, 129], 'studies': [72], 'taken': [74], 'approaches': [76, 98], 'evaluating': [78], 'the': [79, 109, 135, 152, 157, 166, 184, 187], 'performance': [80, 167], 'routines': [84], 'can': [86], 'be': [87], 'subjective': [88], 'rely': [90], 'on': [91], 'an': [92, 120], 'arbitrary': [93], 'cutoff.': [94], 'Furthermore,': [95, 132], 'most': [96], 'completely': [99], 'fail': [100], 'deal': [102], 'with': [103, 117], 'peaks': [104], 'that': [105], 'overlap.': [106], 'We': [107], 'adopt': [108], 'simple': [110], 'robust': [112], 'method': [113], 'ordering': [115, 179], 'respect': [118], 'internally': [121], 'varying': [122], 'use': [125, 134], 'compare': [128, 165], 'algorithms.': [131], 'we': [133], 'information': [136], 'from': [137], 'procedure': [139], 'help': [141], 'improve': [142], 'Bayesian': [144], 'approach': [145], 'automated': [147], 'deconvolution': [149, 171, 182], 'by': [150], 'restricting': [151], 'prior': [153], 'probability': [154], 'distribution': [155], 'position': [159], 'model-free': [162], 'manner': [163], 'manual': [169], 'binning.': [174], 'combination': [176], 'spectral': [178], 'compound': [181], 'improved': [183], 'quality': [185], 'quantitative': [190], 'metabolomics.': [191]}, 'cited_by_api_url': 'https://api.openalex.org/works?filter=cites:W2335539733', 'counts_by_year': [{'year': 2024, 'cited_by_count': 1}, {'year': 2023, 'cited_by_count': 2}, {'year': 2021, 'cited_by_count': 1}, {'year': 2020, 'cited_by_count': 3}, {'year': 2018, 'cited_by_count': 1}, {'year': 2017, 'cited_by_count': 1}, {'year': 2016, 'cited_by_count': 4}, {'year': 2015, 'cited_by_count': 1}, {'year': 2014, 'cited_by_count': 4}, {'year': 2013, 'cited_by_count': 2}], 'updated_date': '2024-12-17T04:07:47.980246', 'created_date': '2016-06-24'}