{"id":"W2518586256","doi":"10.1016/j.bmcl.2016.08.034","title":"Structure–activity relationship of novel series of 1,5-disubstituted tetrazoles as cyclooxygenase-2 inhibitors: Design, synthesis, bioassay screening and molecular docking studies","year":2016,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":22,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Bioassay; Docking (animal); Stereochemistry; Enzyme inhibitor; Structure–activity relationship; Combinatorial chemistry; Cyclooxygenase; Enzyme; In vitro; 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":[0.0002486283,0.0004766361,0.0006214331,0.0003485478,0.0002099806,0.000267168,0.0005400365,0.0002443001,0.001704438],"category_scores_gemma":[0.0001945599,0.0002178803,0.0004194727,0.0003706245,0.0001883837,0.0002760926,0.0001390296,0.0005060252,0.0004071865],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000368294,"about_ca_system_score_gemma":0.0003278624,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007909019,"about_ca_topic_score_gemma":0.003046323,"domain_scores_codex":[0.9999163,0.00001591715,0.00001114955,0.00001382943,0.00001988661,0.00002276777],"domain_scores_gemma":[0.999926,0.00001140084,0.0000224139,0.000006972606,0.00001489829,0.00001831394],"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":[0.0007935368,0.0004843136,0.0004329092,0.0002932671,0.00006894801,0.0002642878,0.0000556749,0.002070647,0.9839627,0.000357674,0.0004704937,0.01074561],"study_design_scores_gemma":[0.0007268435,0.01337429,0.005522759,0.00004213523,0.0005502312,0.00115426,0.00005977851,0.007203334,0.9594817,0.0001365348,0.01168029,0.00006780372],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9742426,0.01831074,0.003930009,0.0002618039,0.0001189585,0.000130597,0.000839251,0.0001355918,0.00203045],"genre_scores_gemma":[0.9786951,0.01214085,0.00449949,0.0001211503,0.00003102404,0.00008424656,0.001285708,0.00001491875,0.003127552],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001704438,"threshold_uncertainty_score":0.00570184,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0286145464205716,"score_gpt":0.2648896591360133,"score_spread":0.2362751127154417,"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."}}