{"id":"W4365442818","doi":"10.1021/acs.jnatprod.2c00518","title":"Interaction Metabolomics to Discover Synergists in Natural Product Mixtures","year":2023,"lang":"en","type":"article","venue":"Journal of Natural Products","topic":"Metabolomics and Mass Spectrometry Studies","field":"Biochemistry, Genetics and Molecular Biology","cited_by":28,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"National Center for Complementary and Integrative Health; National Institutes of Health; Office of Dietary Supplements","keywords":"Metabolomics; Berberine; Piperine; Chemistry; Natural product; Chromatography; Stereochemistry; Biochemistry; Organic chemistry","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":[0.0005503762,0.0001812453,0.0003178197,0.0003754265,0.00004869103,0.00004031342,0.0002503796,0.00005095125,0.000002592517],"category_scores_gemma":[0.001643505,0.0001329267,0.0001134706,0.0007343428,0.00003279331,0.00002699022,0.0001667187,0.0003637486,0.00001056764],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003854495,"about_ca_system_score_gemma":0.00007933602,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000797981,"about_ca_topic_score_gemma":0.00002387694,"domain_scores_codex":[0.9986613,0.0000697385,0.0004150972,0.0003242798,0.0002367942,0.0002927819],"domain_scores_gemma":[0.9991446,0.00001849918,0.000240817,0.000241922,0.0002988644,0.0000553045],"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":[0.0003631315,0.0000447586,0.000569697,0.0000235619,0.0001168405,0.00002381158,0.00009219932,0.0001950823,0.9705046,0.00007229974,0.02530958,0.002684398],"study_design_scores_gemma":[0.0006899124,0.0002671246,0.04775717,0.00004136806,0.00004239124,0.0001541744,0.0001505175,0.0000283525,0.8467925,0.000167517,0.1036024,0.0003066244],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9823021,0.008981596,0.000006814628,0.004726766,0.003724574,0.0001799554,0.000004828942,0.000007752665,0.00006566596],"genre_scores_gemma":[0.9948053,0.001209277,0.0009156724,0.0002367108,0.001418367,0.000003820561,0.00002142341,0.00001933214,0.001370043],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1237122,"threshold_uncertainty_score":0.5420594,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01114834462820178,"score_gpt":0.2806687545266898,"score_spread":0.269520409898488,"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."}}