{"id":"W1969359486","doi":"10.1021/ac9004875","title":"Large-Scale Human Metabolic Phenotyping and Molecular Epidemiological Studies via <sup>1</sup>H NMR Spectroscopy of Urine: Investigation of Borate Preservation","year":2009,"lang":"en","type":"article","venue":"Analytical Chemistry","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Heart, Lung, and Blood Institute; Lung Health Foundation; Wellcome Trust","keywords":"Chemistry; Nuclear magnetic resonance spectroscopy; Boron; Metabolite; Chemical shift; Spectroscopy; Proton NMR; Analytical Chemistry (journal); Nuclear chemistry; Organic chemistry; Physical chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005803854,0.000404016,0.0003500381,0.0003129289,0.0002277608,0.0004473689,0.0003064455,0.0005835512,0.000466764],"category_scores_gemma":[0.0005687133,0.0002111146,0.0002015117,0.0004968077,0.0003901703,0.0002140997,0.0003278755,0.000292145,0.0001754589],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001570896,"about_ca_system_score_gemma":0.0001955555,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005988777,"about_ca_topic_score_gemma":0.0008479878,"domain_scores_codex":[0.9996905,0.0001315002,0.00001401707,0.0000802606,0.00005544177,0.00002829686],"domain_scores_gemma":[0.9996572,0.00008785034,0.0001213903,0.00003862097,0.000054067,0.0000408818],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.002342049,0.0001345857,0.02178581,0.0002545669,0.0001126961,0.0002282502,0.0001028546,0.0003781186,0.9585708,0.0000833845,0.0002458989,0.01576105],"study_design_scores_gemma":[0.00005718478,0.003598272,0.2081478,0.00003670977,0.0003354267,0.00247539,0.0002771419,0.00298921,0.7776235,0.0003677531,0.004040481,0.00005120016],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.975432,0.005257656,0.01685528,0.0003050922,0.00003035237,0.0001238859,0.001233922,0.0001246922,0.0006371561],"genre_scores_gemma":[0.9736302,0.003084297,0.02081146,0.0004078173,0.00005158562,0.0001744916,0.001172852,0.0000290819,0.0006382886],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005988777,"threshold_uncertainty_score":0.003069401,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02122898583870238,"score_gpt":0.3010336325717994,"score_spread":0.2798046467330971,"validation_status":"score_only:v0-immature-baseline","note":"Baseline scores from an immature model (maturity gate not passed). Scores rank; they never assert a category."}}