{"id":"W1965316721","doi":"10.1021/es802198z","title":"International NMR-Based Environmental Metabolomics Intercomparison Exercise","year":2008,"lang":"en","type":"article","venue":"Environmental Science & Technology","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":155,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Natural Environment Research Council; Sight Research UK","keywords":"Metabolomics; Principal component analysis; Multivariate statistics; Data verification; Sample (material); Multivariate analysis; Metabolite; Environmental chemistry; Environmental science; Data mining; Chemistry; Computer science; Chromatography; Artificial intelligence; Biochemistry; Machine learning","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":false,"about_ca":true,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001784721,0.0002215998,0.0002186416,0.0003898371,0.0003669773,0.00001606014,0.0008392064,0.0001490976,0.0002336263],"category_scores_gemma":[0.00002948353,0.0002146202,0.00009090907,0.000267182,0.002367347,0.00001654326,0.0006824708,0.0001648369,0.0000915934],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000124691,"about_ca_system_score_gemma":0.00003676632,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003500535,"about_ca_topic_score_gemma":0.000001446152,"domain_scores_codex":[0.9983104,0.00001308655,0.0002448098,0.0006715148,0.0003239625,0.0004361899],"domain_scores_gemma":[0.9993143,0.000004284056,0.0001109817,0.0004702537,0.000005230831,0.00009496565],"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":[0.00003500489,0.0002175964,0.04701205,7.472437e-7,0.00002233027,0.000007450633,0.0000268006,0.0000682376,0.9479715,0.000100921,0.0002957995,0.004241607],"study_design_scores_gemma":[0.0006348558,0.0002264833,0.02596405,0.000003415678,0.00001891508,0.00006755001,0.0003157818,0.0003191303,0.8178013,0.00007814787,0.1542507,0.0003196933],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9953599,0.001181744,0.001125249,0.0004088392,0.0003295159,0.0001761027,0.00003962353,0.00003663689,0.001342401],"genre_scores_gemma":[0.9926553,0.002532293,0.004044489,0.0001543052,0.00006640793,0.00004074467,0.00005702618,0.00001803425,0.0004313993],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1539549,"threshold_uncertainty_score":0.875196,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007232944344645661,"score_gpt":0.2186726317314475,"score_spread":0.2114396873868018,"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."}}