{"id":"W1980756775","doi":"10.1016/j.bmc.2006.03.050","title":"Synthesis and biological evaluation of linear phenylethynylbenzenesulfonamide regioisomers as cyclooxygenase-1/-2 (COX-1/-2) inhibitors","year":2006,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":32,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta; Lakeland College","funders":"","keywords":"Pharmacophore; Chemistry; Stereochemistry; Cyclooxygenase; Selectivity; Docking (animal); Enzyme; Molecular model; Enzyme inhibitor; Biochemistry; Catalysis","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":[0.0003280647,0.0003566439,0.0002620918,0.0002186632,0.0001694683,0.0001721835,0.0003814635,0.0001958584,0.002209711],"category_scores_gemma":[0.0001709246,0.0001674629,0.0002354499,0.000208699,0.0001879325,0.0001994007,0.0001690296,0.0003048724,0.0005718024],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002871167,"about_ca_system_score_gemma":0.0004144212,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009118718,"about_ca_topic_score_gemma":0.002074222,"domain_scores_codex":[0.9998715,0.00003245472,0.00001319061,0.00001472952,0.00002701969,0.00004107802],"domain_scores_gemma":[0.9999235,0.00001432243,0.00001675706,0.00001076039,0.00001508569,0.00001952265],"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":[0.0004865151,0.0001512016,0.0001724706,0.0001084693,0.00001541316,0.0002032219,0.0000653718,0.000873169,0.989562,0.0006011694,0.0001940706,0.007566994],"study_design_scores_gemma":[0.00009151384,0.001833805,0.0009016523,0.000008907984,0.00002679578,0.0001777409,0.00002432407,0.0006009669,0.9910836,0.00005900351,0.005181449,0.0000101724],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9746839,0.006492828,0.009104871,0.0001524126,0.00008397717,0.0002119994,0.0006471275,0.0001983828,0.008424528],"genre_scores_gemma":[0.9845936,0.004136789,0.004898184,0.00007572949,0.00002057476,0.00009311103,0.0006141128,0.00002875247,0.005539276],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002209711,"threshold_uncertainty_score":0.007392287,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01888753002189862,"score_gpt":0.2642890566715887,"score_spread":0.2454015266496901,"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."}}