{"id":"W7117133089","doi":"10.3390/molecules31010065","title":"1H-NMR Analysis of Wine Metabolites: Method Development and Validation","year":2025,"lang":"en","type":"article","venue":"Molecules","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Agence Nationale de la Recherche; Alberta Water Research Institute; Bioplatforms Australia","keywords":"Workflow; Wine; Sample (material); Quality (philosophy); Matching (statistics); Spectrometer; Data validation","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":[0.03234784,0.002257124,0.001998662,0.002681179,0.001744202,0.003243831,0.002065377,0.003028408,0.002437372],"category_scores_gemma":[0.02812354,0.001369977,0.002073662,0.00168807,0.002574976,0.001587207,0.003500803,0.003160815,0.003679655],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001262252,"about_ca_system_score_gemma":0.005456529,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003509695,"about_ca_topic_score_gemma":0.004581784,"domain_scores_codex":[0.9773839,0.005622687,0.001840795,0.004167073,0.01035852,0.0006271113],"domain_scores_gemma":[0.9866515,0.002948521,0.001073552,0.002265718,0.006753228,0.0003074024],"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":[0.001091486,0.0004914818,0.007554248,0.004542369,0.0006583828,0.0005782109,0.001398994,0.006702207,0.7755617,0.004902656,0.004713328,0.1918049],"study_design_scores_gemma":[0.0001443077,0.002092967,0.01436456,0.001363242,0.0005938793,0.001298358,0.0005100359,0.027645,0.8391988,0.005056536,0.1072493,0.0004830791],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"methods","genre_scores_codex":[0.09232602,0.01606718,0.8713574,0.001223949,0.0009518678,0.005006925,0.004297983,0.003177479,0.005591264],"genre_scores_gemma":[0.1662274,0.01309119,0.7978541,0.001521887,0.0003668216,0.006679059,0.008248514,0.001435778,0.004575156],"genre_candidate":"methods","genre_consensus":"methods","teacher_disagreement_score":0.03234784,"threshold_uncertainty_score":0.1710738,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00930445594228313,"score_gpt":0.2859861829033233,"score_spread":0.2766817269610402,"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."}}