{"id":"W1982767183","doi":"10.1016/j.bmcl.2009.12.073","title":"Phenylacetic acid regioisomers possessing a N-difluoromethyl-1,2-dihydropyrid-2-one pharmacophore: Evaluation as dual inhibitors of cyclooxygenases and 5-lipoxygenase with anti-inflammatory activity","year":2009,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":19,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo; University of Alberta","funders":"Canadian Institutes of Health Research","keywords":"Pharmacophore; Chemistry; Moiety; Phenylacetic acid; Stereochemistry; Arachidonate 5-lipoxygenase; Structural isomer; Chemical synthesis; Structure–activity relationship; Propanoic acid; Anti-inflammatory; Enzyme inhibitor; Enzyme; Virtual screening; In vitro; Biochemistry; Arachidonic acid; Pharmacology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002504734,0.0004393095,0.0003444676,0.0003110218,0.0001881505,0.0001885082,0.0004188079,0.0003548456,0.001230599],"category_scores_gemma":[0.000177026,0.0002119852,0.0002675851,0.0002615983,0.0002009976,0.0002121279,0.0001779934,0.0004119533,0.0005105865],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001940682,"about_ca_system_score_gemma":0.0002657292,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000594255,"about_ca_topic_score_gemma":0.0008736528,"domain_scores_codex":[0.9998763,0.00002425966,0.000008716189,0.00001583203,0.00002249819,0.00005238189],"domain_scores_gemma":[0.9999301,0.000009341376,0.00002282279,0.000007437239,0.000008424779,0.0000218503],"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":[0.002268838,0.0002351897,0.0001972505,0.0001431393,0.00002587125,0.0004215571,0.00003935413,0.0006790648,0.9821048,0.0006320601,0.0003241507,0.01292868],"study_design_scores_gemma":[0.0005383873,0.005155286,0.001580529,0.00001251332,0.00009321116,0.0008878771,0.00002821687,0.001028076,0.9843805,0.0000577805,0.006212081,0.00002557737],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.983257,0.005057669,0.00498892,0.0001561113,0.00009572517,0.0001462158,0.0004200551,0.000165596,0.005712761],"genre_scores_gemma":[0.9910391,0.003517529,0.002753764,0.00007628538,0.00004234691,0.00005730685,0.0002739307,0.00001624741,0.002223568],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001230599,"threshold_uncertainty_score":0.004116774,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.009930063360059803,"score_gpt":0.2545042664144384,"score_spread":0.2445742030543786,"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."}}