{"id":"W2093820201","doi":"10.1021/jm0302391","title":"Design, Synthesis, and Biological Evaluation of 6-Substituted-3-(4-methanesulfonylphenyl)-4-phenylpyran-2-ones:  A Novel Class of Diarylheterocyclic Selective Cyclooxygenase-2 Inhibitors","year":2003,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":110,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Celecoxib; Pharmacophore; Stereochemistry; Cyclooxygenase; Substituent; In vivo; Carrageenan; Potency; Pharmacology; Chemical synthesis; Structure–activity relationship; In vitro; Enzyme; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001323437,0.0003912256,0.0003403231,0.0001883693,0.0001000213,0.0002166764,0.0004119117,0.0002236045,0.001371766],"category_scores_gemma":[0.00009115532,0.0001682056,0.0002110667,0.0001454139,0.000123219,0.0002029591,0.0001500503,0.0003030416,0.0004789844],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002261517,"about_ca_system_score_gemma":0.0003110669,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002950322,"about_ca_topic_score_gemma":0.0008581738,"domain_scores_codex":[0.9999398,0.000009068569,0.000006034543,0.00001137302,0.00001575843,0.00001793916],"domain_scores_gemma":[0.9999446,0.000004308829,0.00001923641,0.000004561655,0.00001168968,0.000015699],"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":[0.0005588926,0.0002913415,0.0002762207,0.0001994612,0.00002199963,0.0001540624,0.00002652992,0.001116538,0.980013,0.0002871841,0.0002239488,0.01683095],"study_design_scores_gemma":[0.0004249085,0.007078406,0.003393697,0.0000140536,0.00007060028,0.0005771684,0.00002319102,0.002159447,0.9762651,0.00007437955,0.009894701,0.00002418115],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9835844,0.005648941,0.006198687,0.0001289142,0.00006131607,0.0002549093,0.0008491411,0.0001409848,0.00313269],"genre_scores_gemma":[0.9756001,0.006025528,0.01023099,0.0001202453,0.000039289,0.0002941141,0.001306317,0.00001659354,0.006366773],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001371766,"threshold_uncertainty_score":0.004589021,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03885850124816517,"score_gpt":0.2862015715049856,"score_spread":0.2473430702568204,"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."}}