{"id":"W4206767367","doi":"10.1016/j.jpba.2022.114598","title":"Label-free LC-HRMS-based enzymatic activity assay for the detection of DDC, MAO and COMT inhibitors","year":2022,"lang":"en","type":"article","venue":"Journal of Pharmaceutical and Biomedical Analysis","topic":"Medicinal Plants and Bioactive Compounds","field":"Biochemistry, Genetics and Molecular Biology","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"National Research Council Canada","funders":"","keywords":"Chemistry; Enzyme; Monoamine oxidase; Catechol-O-methyl transferase; Chromatography; Mass spectrometry; Monoamine oxidase B; Biochemistry","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":[0.001328868,0.000107295,0.0002988015,0.0001483906,0.0001812352,0.00001438467,0.0001772886,0.00006262867,0.00006746613],"category_scores_gemma":[0.0002297307,0.00006098545,0.0001919112,0.0003369279,0.0003038003,0.000005298667,0.0001413715,0.0002381383,7.053833e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001728916,"about_ca_system_score_gemma":0.00005407716,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001186061,"about_ca_topic_score_gemma":0.000007796021,"domain_scores_codex":[0.9987973,0.0001790948,0.0003266556,0.0001493772,0.0004006691,0.0001469205],"domain_scores_gemma":[0.9990531,0.0003045025,0.0002545782,0.0001112684,0.00009945712,0.0001770609],"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":[0.001230988,0.0003385726,0.001628458,0.00008478186,0.001488965,0.000008476348,0.00002286522,0.00001452555,0.9221819,0.00001035131,0.0008580804,0.07213201],"study_design_scores_gemma":[0.01082389,0.006802254,0.01131885,0.00005792772,0.01065093,0.000307734,0.0008004677,0.1144605,0.586898,0.0004587983,0.256848,0.000572659],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9525373,0.002398466,0.03923959,0.00539201,0.0001908117,0.0001267455,0.0001007998,0.00000217573,0.00001208046],"genre_scores_gemma":[0.9988117,0.0002872247,0.0001924729,0.0003879404,0.0002631578,0.000006473264,0.00001235113,0.000004744339,0.00003396608],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.335284,"threshold_uncertainty_score":0.2486915,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02400121351188545,"score_gpt":0.316039835020484,"score_spread":0.2920386215085986,"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."}}