{"id":"W2060468714","doi":"10.1021/jm0510474","title":"Synthesis and Structure−Activity Relationship Studies of 1,3-Diarylprop-2-yn-1-ones:  Dual Inhibitors of Cyclooxygenases and Lipoxygenases","year":2006,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":82,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Cyclooxygenase; IC50; Arachidonate 5-lipoxygenase; Pharmacophore; Pharmacology; In vivo; ED50; Enzyme inhibitor; Rofecoxib; Stereochemistry; In vitro; Enzyme; Biochemistry; Arachidonic acid; Medicine","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":[],"consensus_categories":[],"category_scores_codex":[0.0006153535,0.0001980847,0.0008011902,0.0001226716,0.00005776621,0.00000445038,0.00004806919,0.0001509575,0.00002452697],"category_scores_gemma":[0.002296507,0.0001405186,0.0001068051,0.0001381181,0.0004979678,0.0001019187,0.00003340457,0.0003432606,1.156349e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004844698,"about_ca_system_score_gemma":0.0001802441,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003080049,"about_ca_topic_score_gemma":0.000004739028,"domain_scores_codex":[0.9983596,0.00006225784,0.0007006382,0.0001487723,0.0005658965,0.0001628748],"domain_scores_gemma":[0.9974501,0.001094447,0.0008111969,0.0001409924,0.0003357643,0.0001675479],"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":[0.0008570002,0.0001620895,0.1840583,0.004003806,0.0002901801,0.0002902637,0.0004341879,0.000008165221,0.8064182,0.0000139547,0.001120767,0.002343082],"study_design_scores_gemma":[0.00126205,0.0003106475,0.1648515,0.001535955,0.0005284458,0.001267593,0.0009975903,0.0000107401,0.8288775,0.000189469,0.00006101884,0.0001075538],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9874638,0.01190261,0.000005492128,0.0002524156,0.0001408423,0.0001008011,0.00001727585,0.000006705186,0.0001100962],"genre_scores_gemma":[0.9982995,0.0004881627,0.0002195577,0.00001342952,0.0009237457,0.000001953754,0.000001821686,0.0000156781,0.00003620065],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02245927,"threshold_uncertainty_score":0.5730181,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01474523537653683,"score_gpt":0.2683507249402648,"score_spread":0.253605489563728,"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."}}