{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002799749,0.0001434491,0.000259402,0.00004025094,0.00003682798,0.000008792475,0.0001364042,0.0001612963,0.00003531164],"category_scores_gemma":[0.0004535024,0.000122733,0.00009706206,0.00008076362,0.0001638889,0.000004138693,0.00003983242,0.0001720497,1.682977e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000005361574,"about_ca_system_score_gemma":0.0001332819,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002985401,"about_ca_topic_score_gemma":0.00001296962,"domain_scores_codex":[0.999018,0.00003981495,0.0003842812,0.0001590433,0.0002504419,0.0001484545],"domain_scores_gemma":[0.9991037,0.00005908423,0.0004066458,0.0001771743,0.0001395203,0.00011392],"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":[0.0001851607,0.00006486146,0.01561615,0.0001114213,0.00004434484,0.00001158275,0.00001736097,0.00002832428,0.9812358,0.00001146785,0.001562844,0.001110661],"study_design_scores_gemma":[0.0006891523,0.00008805092,0.03080207,0.00006717128,0.0001224302,0.0002191474,0.0000902899,0.00001058519,0.9664589,0.0001883948,0.001145677,0.0001181589],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942178,0.004111003,0.0006389305,0.0001859039,0.00008383706,0.00004313905,0.00001561065,0.000001900666,0.0007019428],"genre_scores_gemma":[0.998484,0.0001191535,0.0007741735,0.00003120424,0.0004713092,0.000001300647,0.000007389975,0.00001319912,0.0000982247],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01518592,"threshold_uncertainty_score":0.5004905,"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."}}