{"id":"W2007412933","doi":"10.1007/s11306-009-0155-5","title":"Quantitative analysis of metabolite concentrations in human urine samples using 13C{1H} NMR spectroscopy","year":2009,"lang":"en","type":"article","venue":"Metabolomics","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":57,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"","keywords":"Metabolomics; Metabolite; Proton NMR; Nuclear magnetic resonance spectroscopy; Chemistry; Carbon-13 NMR; NMR spectra database; Chromatography; Spectral line; Biochemistry; Stereochemistry","routes":{"ca_aff":true,"ca_fund":false,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003832793,0.0002487379,0.0008004713,0.0004546671,0.0001049137,0.00002556134,0.0002265879,0.0001084416,0.00003674956],"category_scores_gemma":[0.000153042,0.0002422556,0.0002937721,0.001053744,0.0001308915,0.00001109407,0.00007033876,0.0001184854,9.083376e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002482507,"about_ca_system_score_gemma":0.00005955524,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001673265,"about_ca_topic_score_gemma":0.0003422498,"domain_scores_codex":[0.9983052,0.0001172565,0.0005906305,0.0004526892,0.0001622217,0.0003720179],"domain_scores_gemma":[0.9990578,0.00002672789,0.000281698,0.0004277957,0.0001376478,0.00006836036],"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":[0.00006923769,0.0001568495,0.02043027,0.000004487722,0.0008794108,0.000001206225,0.00009612808,0.001840018,0.9266227,0.0498037,0.00002048872,0.00007552221],"study_design_scores_gemma":[0.001117399,0.000387878,0.256725,0.000006770967,0.00194363,0.00000209051,0.0003705423,0.003331277,0.7297673,0.002043239,0.003828628,0.0004762957],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.982697,0.006221157,0.01004057,0.0000921413,0.00007818822,0.0001929108,0.0001901977,0.000009308759,0.0004786041],"genre_scores_gemma":[0.9656798,0.001784328,0.03197843,0.0001390934,0.00007344706,0.000005547178,0.0002639868,0.00001476024,0.00006065678],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2362947,"threshold_uncertainty_score":0.9878898,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03270266610857307,"score_gpt":0.3283297937673094,"score_spread":0.2956271276587363,"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."}}