{"id":"W4384119977","doi":"10.1002/jms.4960","title":"Authenticity study of commercial samples of St. John's wort by paper spray ionization mass spectrometry and chemometric tools","year":2023,"lang":"en","type":"article","venue":"Journal of Mass Spectrometry","topic":"Natural Compound Pharmacology Studies","field":"Agricultural and Biological Sciences","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Fundação de Amparo à Pesquisa do Estado de Minas Gerais; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior","keywords":"Hypericum perforatum; Chemistry; Mass spectrometry; Chromatography; Traditional medicine; Ageratum conyzoides; Botany; Weed","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00112975,0.0006825881,0.0004012205,0.002437251,0.0005706613,0.0007003776,0.0003009984,0.0008642067,0.001171652],"category_scores_gemma":[0.002211547,0.0002401045,0.0005002064,0.001473498,0.0008370952,0.0004023555,0.0004690451,0.000566997,0.000382231],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002900375,"about_ca_system_score_gemma":0.0005116945,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002239705,"about_ca_topic_score_gemma":0.003464992,"domain_scores_codex":[0.9982753,0.0002047156,0.0001134243,0.0003906866,0.0008942982,0.000121591],"domain_scores_gemma":[0.9989918,0.0001814422,0.0002437831,0.0001067404,0.0004296427,0.00004662956],"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":[0.0003046153,0.0001030918,0.01267275,0.0002888805,0.00007545491,0.000397507,0.0003912239,0.0001839493,0.9619425,0.0002891478,0.0001640635,0.02318684],"study_design_scores_gemma":[0.000045931,0.0009145946,0.1881443,0.0001549545,0.0003011448,0.003695083,0.001044237,0.005566217,0.7855588,0.0005029634,0.01399025,0.00008162334],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9644834,0.003698145,0.0262747,0.0001805724,0.0001221656,0.0002555479,0.001072788,0.0001800846,0.003732583],"genre_scores_gemma":[0.9606774,0.001529798,0.03478395,0.0002106548,0.00003884723,0.000104034,0.0008891559,0.00008440787,0.001681746],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002437251,"threshold_uncertainty_score":0.00597477,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03469491926912473,"score_gpt":0.2765060594388191,"score_spread":0.2418111401696943,"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."}}