{"id":"W2019920301","doi":"10.1021/jm8015188","title":"Synthesis of Celecoxib Analogues Possessing a<i>N</i>-Difluoromethyl-1,2-dihydropyrid-2-one 5-Lipoxygenase Pharmacophore: Biological Evaluation as Dual Inhibitors of Cyclooxygenases and 5-Lipoxygenase with Anti-Inflammatory Activity","year":2009,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":178,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Pharmacophore; Moiety; Stereochemistry; Celecoxib; Arachidonate 5-lipoxygenase; Trifluoromethyl; Anti-inflammatory; Lipoxygenase; Cyclooxygenase; Chemical synthesis; Pyrazole; Pharmacology; Enzyme; Biochemistry; Arachidonic acid; In vitro; Organic chemistry; Alkyl","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":[0.000116958,0.000435761,0.0005675053,0.0002111281,0.0001671914,0.0002179283,0.000407707,0.0003658398,0.001883454],"category_scores_gemma":[0.0001356111,0.0001669908,0.0002566815,0.0002863213,0.0001224045,0.0002201305,0.000165975,0.0003732944,0.0006012181],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000229642,"about_ca_system_score_gemma":0.0002712826,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004544888,"about_ca_topic_score_gemma":0.0008013495,"domain_scores_codex":[0.9999263,0.000008967028,0.000006962375,0.00001377718,0.000016909,0.00002706791],"domain_scores_gemma":[0.9999398,0.000003655311,0.00001635846,0.000003915194,0.0000109747,0.00002535119],"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":[0.0006368252,0.0002000188,0.0001445258,0.0002726496,0.00002220969,0.0003500193,0.00003671017,0.0007406058,0.9814808,0.0005930975,0.0002850031,0.01523742],"study_design_scores_gemma":[0.0008734779,0.004198296,0.002927077,0.00003714955,0.0001281585,0.0010066,0.00003535982,0.002363981,0.9655648,0.0001540704,0.02266443,0.00004664346],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9477034,0.01348901,0.02154996,0.0002902174,0.0002790198,0.0007983792,0.001468102,0.0002839001,0.01413796],"genre_scores_gemma":[0.9763277,0.00639158,0.01141181,0.0001340772,0.00006834617,0.0002384215,0.001053929,0.0000234051,0.004350767],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001883454,"threshold_uncertainty_score":0.006300747,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01622775999551487,"score_gpt":0.2836385199218726,"score_spread":0.2674107599263578,"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."}}