{"id":"W2019920301","doi":"10.1021/jm8015188","title":"Synthesis of Celecoxib Analogues Possessing a<i>N</i>-Difluoromethyl-1,2-dihydropyrid-2-one 5-Lipoxygenase Pharmacophore: Biological Evaluation as Dual Inhibitors of Cyclooxygenases and 5-Lipoxygenase with Anti-Inflammatory Activity","year":2009,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":178,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Pharmacophore; Moiety; Stereochemistry; Celecoxib; Arachidonate 5-lipoxygenase; Trifluoromethyl; Anti-inflammatory; Lipoxygenase; Cyclooxygenase; Chemical synthesis; Pyrazole; Pharmacology; Enzyme; Biochemistry; Arachidonic acid; In vitro; Organic chemistry; Alkyl","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.002711601,0.0004263677,0.001429022,0.000283249,0.00009556023,0.00001560532,0.0001667779,0.0003112402,0.0001630574],"category_scores_gemma":[0.001726628,0.0003021671,0.0002669321,0.000413236,0.0005271885,0.000240124,0.00003789282,0.0007144363,0.000001230757],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001605826,"about_ca_system_score_gemma":0.0009123253,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001947574,"about_ca_topic_score_gemma":8.223001e-7,"domain_scores_codex":[0.9960635,0.0002625078,0.001228247,0.0003664213,0.001667364,0.0004119214],"domain_scores_gemma":[0.9959489,0.0005442664,0.001730446,0.000321668,0.0008721374,0.0005826041],"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":[0.003072587,0.0007248023,0.005944231,0.0009525159,0.0003683571,0.0009069352,0.0002287312,0.00002772686,0.9652163,0.000001154085,0.0001972282,0.02235937],"study_design_scores_gemma":[0.004280468,0.001918612,0.04789124,0.001923081,0.001154515,0.002175074,0.0003433957,0.0002172958,0.9397544,0.00003319466,0.0000439599,0.000264751],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9950401,0.003707231,0.00002668168,0.000430598,0.0001536759,0.000356495,0.00001618299,0.00002175663,0.000247302],"genre_scores_gemma":[0.9975152,0.0008810547,0.0004440558,0.00009225915,0.001011572,0.000007280426,0.00001114558,0.00002927088,0.000008188185],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.04194701,"threshold_uncertainty_score":0.999943,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01622775999551487,"score_gpt":0.2836385199218726,"score_spread":0.2674107599263578,"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."}}