{"id":"W2068613339","doi":"10.1016/j.bmc.2004.10.017","title":"Design and synthesis of (Z)-1,2-diphenyl-1-(4-methanesulfonamidophenyl)alk-1-enes and (Z)-1-(4-azidophenyl)-1,2-diphenylalk-1-enes: novel inhibitors of cyclooxygenase-2 (COX-2) with anti-inflammatory and analgesic activity","year":2004,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":19,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Stereochemistry; Docking (animal); Enzyme; Hydrogen bond; Cyclooxygenase; In vitro; IC50; Molecular model; Molecule; 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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.001118887,0.0007964341,0.001629605,0.0002297936,0.0001766362,0.00002498074,0.0002056632,0.0005189031,0.0000403943],"category_scores_gemma":[0.0005972092,0.0006435277,0.0001260081,0.0005198536,0.001577599,0.0002314422,0.0001645942,0.0005445878,0.000001623177],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001423655,"about_ca_system_score_gemma":0.0007319518,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001570026,"about_ca_topic_score_gemma":0.000006711471,"domain_scores_codex":[0.99639,0.0001063137,0.0009020175,0.0009651493,0.0009611287,0.000675411],"domain_scores_gemma":[0.99687,0.0007009327,0.0007144772,0.000690077,0.0002953311,0.0007291817],"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":[0.001570731,0.0004081576,0.01497922,0.004574383,0.0003939005,0.0002020043,0.0005720946,0.00001515564,0.974435,0.00002775798,0.00001982372,0.002801755],"study_design_scores_gemma":[0.007127496,0.000790564,0.06249601,0.002308575,0.0009627977,0.001015687,0.0007922377,0.0001289332,0.9236486,0.00006146728,0.00005443288,0.0006132005],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938074,0.003724827,0.0009653104,0.0002790205,0.0001220676,0.0008135067,0.00003271543,0.0001044721,0.0001506843],"genre_scores_gemma":[0.9960839,0.0007701324,0.002480164,0.00006849001,0.0003825256,0.00004991814,0.000009671837,0.000116915,0.00003830064],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05078642,"threshold_uncertainty_score":0.9996016,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008676309901733225,"score_gpt":0.2119265454549973,"score_spread":0.203250235553264,"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."}}