{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.004376787,0.0002821391,0.001001221,0.0001616976,0.00004584416,0.000004836932,0.0001222483,0.0003292453,0.00008624808],"category_scores_gemma":[0.007099232,0.0002020926,0.0002095697,0.0002954633,0.0003779376,0.00009760693,0.00001907334,0.0005045633,7.528447e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001638579,"about_ca_system_score_gemma":0.0008225489,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006480376,"about_ca_topic_score_gemma":6.312455e-7,"domain_scores_codex":[0.9968237,0.0002953647,0.001123491,0.000241372,0.001235455,0.0002806495],"domain_scores_gemma":[0.9962201,0.001116977,0.001130449,0.0002123236,0.0009956361,0.0003245178],"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":[0.001092447,0.0003850606,0.009793101,0.0007011283,0.0003230576,0.00005383658,0.0004528541,0.00007980823,0.9855565,0.000007386854,0.0001295123,0.001425267],"study_design_scores_gemma":[0.004915176,0.000548701,0.01020061,0.001364188,0.001044317,0.001592745,0.0006208537,0.0003150989,0.9790406,0.0001124824,0.000070161,0.0001750783],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9943284,0.003376244,0.001285953,0.00008575404,0.0002418099,0.0003437672,0.00000519122,0.000009263535,0.0003236117],"genre_scores_gemma":[0.997832,0.0003584403,0.00134551,0.00003202446,0.0003856659,0.00001625345,0.000003115185,0.0000211457,0.000005823746],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006515954,"threshold_uncertainty_score":0.8498957,"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."}}