{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008764368,0.001048124,0.0007284151,0.002264046,0.0002695025,0.0008224235,0.0003488656,0.0007664516,0.001671358],"category_scores_gemma":[0.0008308526,0.000392144,0.0009454552,0.001517925,0.0003947933,0.0008818472,0.0008947026,0.001141397,0.0004679617],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004508544,"about_ca_system_score_gemma":0.0004367745,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005502176,"about_ca_topic_score_gemma":0.001158868,"domain_scores_codex":[0.9993715,0.00009165893,0.00004484699,0.0001852439,0.0002558734,0.00005096127],"domain_scores_gemma":[0.9994801,0.0002081973,0.0001331323,0.00003959953,0.00009462624,0.00004448653],"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":[0.0002919259,0.00008628539,0.002708144,0.0002355824,0.0001171998,0.00009067648,0.00003125718,0.0005596562,0.979829,0.0002726496,0.0001463624,0.01563133],"study_design_scores_gemma":[0.00006158152,0.001130593,0.0389646,0.00003365063,0.0003240051,0.0006763022,0.0001373999,0.0264378,0.9232112,0.001535072,0.007401465,0.00008630578],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.6805252,0.01039923,0.2902649,0.001043427,0.0001726937,0.001034652,0.00733637,0.003020748,0.00620277],"genre_scores_gemma":[0.6883177,0.004964046,0.2975991,0.0008820536,0.0001010503,0.0008903606,0.003880581,0.0002026614,0.003162339],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002264046,"threshold_uncertainty_score":0.005591214,"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."}}