{"id":"W1967802461","doi":"10.1021/jm060202r","title":"Design of Inhibitors of Orotidine Monophosphate Decarboxylase Using Bioisosteric Replacement and Determination of Inhibition Kinetics","year":2006,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":48,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; University of Toronto; University Health Network","funders":"Japan Society for the Promotion of Science","keywords":"Chemistry; Isothermal titration calorimetry; Uridine; Decarboxylation; Stereochemistry; Enzyme kinetics; Enzyme; Biochemistry; Active site; RNA","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":[0.0004906344,0.00009091365,0.0002668761,0.0000630113,0.00001506002,0.000004427505,0.00004956767,0.000070159,0.00003380768],"category_scores_gemma":[0.00008562563,0.00007368423,0.00003645898,0.0001123204,0.0001066321,0.000091508,0.00001645018,0.00007152349,4.324214e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004321359,"about_ca_system_score_gemma":0.00004995105,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002219034,"about_ca_topic_score_gemma":4.318588e-7,"domain_scores_codex":[0.9987032,0.00003071227,0.0007363811,0.00008550958,0.0003612563,0.00008294547],"domain_scores_gemma":[0.9983193,0.00005175472,0.001219187,0.0000833757,0.0002852396,0.00004112151],"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":[0.0003549046,0.00005359631,0.00037012,0.0002565772,0.000003950569,0.000007043634,0.00006431222,0.0004008043,0.9977472,0.000001404727,0.00004074748,0.0006992909],"study_design_scores_gemma":[0.0008194647,0.0006322498,0.0005945688,0.000450624,0.00008934951,0.0001667191,0.0001000069,0.000575412,0.9963002,0.0002127838,0.000004523789,0.00005408586],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9830719,0.0006044909,0.01605398,0.00002451964,0.0001308234,0.00005782091,0.000002997772,0.000002162934,0.00005129924],"genre_scores_gemma":[0.9900255,0.00004079361,0.009744804,0.000006405652,0.0001684855,3.089904e-7,0.000001818029,0.000005288708,0.000006591666],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0069536,"threshold_uncertainty_score":0.3004756,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01187193764180179,"score_gpt":0.2329837378594255,"score_spread":0.2211118002176237,"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."}}