{"id":"W4387773241","doi":"10.1021/acs.jafc.3c04880","title":"Quantitative Structure–Activity Relationship Modeling of Pea Protein-Derived Acetylcholinesterase and Butyrylcholinesterase Inhibitory Peptides","year":2023,"lang":"en","type":"article","venue":"Journal of Agricultural and Food Chemistry","topic":"Protein Hydrolysis and Bioactive Peptides","field":"Biochemistry, Genetics and Molecular Biology","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa; University of Manitoba","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs","keywords":"Butyrylcholinesterase; Acetylcholinesterase; Chemistry; Valine; Asparagine; Arginine; Biochemistry; Peptide; Serine; Leucine; Threonine; Cholinesterase; Amino acid; Alanine; Aché; Enzyme; Biology; Pharmacology","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0004435226,0.0006479538,0.0004794695,0.0002885426,0.0001186805,0.0004807154,0.0003196351,0.0004227137,0.0005545468],"category_scores_gemma":[0.000807312,0.0002144614,0.0008493841,0.0003035331,0.0001587762,0.0004157902,0.0001432,0.0004026933,0.0001880777],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004823224,"about_ca_system_score_gemma":0.0003576545,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001956779,"about_ca_topic_score_gemma":0.001129118,"domain_scores_codex":[0.9998759,0.00003597668,0.000006996235,0.00003164728,0.000032387,0.00001701731],"domain_scores_gemma":[0.9997411,0.0001712829,0.00003599671,0.00001162647,0.00003256026,0.000007394296],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0002500685,0.0001993414,0.003730524,0.0001095095,0.0001128024,0.0001119324,0.00004577861,0.8712113,0.1155578,0.0007667488,0.0001065813,0.00779752],"study_design_scores_gemma":[0.000007773265,0.00007173285,0.001362448,0.000001069888,0.00001188054,0.00001875719,0.000007344715,0.9887926,0.009415326,0.0001870939,0.0001193927,0.000004645224],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9544806,0.0003252946,0.04393387,0.00004953791,0.000005184333,0.00002663696,0.0002837712,0.0001163306,0.0007785902],"genre_scores_gemma":[0.9915924,0.0001766376,0.007338753,0.000009057056,0.000002371388,0.00004424063,0.0004257243,0.00001745294,0.0003934065],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001956779,"threshold_uncertainty_score":0.003890753,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02112983910708067,"score_gpt":0.2461247842687013,"score_spread":0.2249949451616207,"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."}}