{"id":"W2031177327","doi":"10.1021/jm050109n","title":"Synthesis and Structure−Activity Relationship of Small-Molecule Malonyl Coenzyme A Decarboxylase Inhibitors","year":2006,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Metabolism and Genetic Disorders","field":"Biochemistry, Genetics and Molecular Biology","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Malonyl-CoA; Beta oxidation; Allosteric regulation; Carnitine; Coenzyme A; Enzyme; Biochemistry; Structure–activity relationship; In vivo; Stereochemistry; Pharmacology; In vitro; Biology","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":[0.000166641,0.0005003719,0.0003731871,0.0003576444,0.0001909411,0.000308966,0.0003422616,0.0002687231,0.001734534],"category_scores_gemma":[0.000204078,0.000192919,0.0003061205,0.0001970217,0.0001371789,0.0002542163,0.0001776816,0.0005280408,0.0005237063],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003107924,"about_ca_system_score_gemma":0.0002971686,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000353191,"about_ca_topic_score_gemma":0.0007225444,"domain_scores_codex":[0.999923,0.00001318468,0.000009824241,0.00001560023,0.00001785101,0.00002062147],"domain_scores_gemma":[0.9999069,0.00001556791,0.00001757551,0.00000940162,0.00001801686,0.00003263617],"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":[0.0004524774,0.0003104705,0.0001703919,0.000249345,0.00003091296,0.0002836391,0.00003718205,0.001345251,0.9726645,0.001263669,0.0003821588,0.02280996],"study_design_scores_gemma":[0.0002727108,0.002231126,0.0008597859,0.00001747883,0.0000600574,0.0003454644,0.00001479104,0.001328832,0.9787218,0.0001927235,0.01593769,0.00001746787],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8887361,0.0406117,0.0522586,0.0007094651,0.0006162229,0.001071986,0.002337646,0.0005264725,0.01313196],"genre_scores_gemma":[0.9556894,0.01744965,0.01829941,0.0002264578,0.0000830943,0.0002579903,0.001916702,0.00003999399,0.006037306],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001734534,"threshold_uncertainty_score":0.005802572,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.006149069597716481,"score_gpt":0.2190111135407993,"score_spread":0.2128620439430828,"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."}}