{"id":"W2017480892","doi":"10.1016/j.bmc.2013.04.074","title":"1,4-Diaryl-substituted triazoles as cyclooxygenase-2 inhibitors: Synthesis, biological evaluation and molecular modeling studies","year":2013,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":14,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Pharmacophore; Stereochemistry; Aryl; Cyclooxygenase; Docking (animal); Molecular model; Alkyl; Hydrogen bond; Active site; IC50; Enzyme; In vitro; Molecule; Biochemistry; Organic chemistry","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0009272097,0.000353876,0.0006079213,0.00006535416,0.0001264954,0.00002298683,0.0001091414,0.0003211957,0.0005642527],"category_scores_gemma":[0.004382574,0.0002588867,0.0001006864,0.0001970364,0.0002569556,0.00009467908,0.00007950076,0.0003278345,0.00009332805],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001610543,"about_ca_system_score_gemma":0.0003274867,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00004611949,"about_ca_topic_score_gemma":8.904453e-7,"domain_scores_codex":[0.9978029,0.0001026518,0.0005033211,0.0005196136,0.0006708411,0.0004006988],"domain_scores_gemma":[0.998498,0.0002623709,0.0001349892,0.0003330179,0.000379737,0.0003919444],"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":[0.0001064786,0.00007440797,0.0006546454,0.0004367403,0.0001991476,0.0001122948,0.0002070589,0.000004050049,0.9923189,0.000009249197,0.0006086337,0.005268362],"study_design_scores_gemma":[0.002399326,0.0001323214,0.0007986477,0.0009653934,0.0005940899,0.0003808417,0.001736576,0.004896422,0.9871684,0.0003604183,0.0001692992,0.0003983202],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9765778,0.02075335,0.00004503679,0.001113774,0.0002217349,0.0007605963,0.000002811768,0.0001282961,0.0003965991],"genre_scores_gemma":[0.9968414,0.001486535,0.0001413066,0.0003324847,0.000890841,0.0002111156,0.00003938375,0.00003404072,0.000022944],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02026355,"threshold_uncertainty_score":0.9999864,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03548439731280401,"score_gpt":0.3028136842043264,"score_spread":0.2673292868915224,"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."}}