{"id":"W2321973402","doi":"10.1021/acs.joc.5b00537","title":"Diaryl-Substituted (Dihydro)pyrrolo[3,2,1-<i>hi</i>]indoles, a Class of Potent COX-2 Inhibitors with Tricyclic Core Structure","year":2015,"lang":"en","type":"article","venue":"The Journal of Organic Chemistry","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Helmholtz-Gemeinschaft","keywords":"Chemistry; Tricyclic; Stereochemistry; Substituent; Amide; Indole test; Acylation; In silico; Ligand (biochemistry); Combinatorial chemistry; Organic chemistry; Receptor; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008579587,0.0002468021,0.0002434442,0.0001385018,0.00008342378,0.0001399464,0.000300698,0.0001283554,0.0008884917],"category_scores_gemma":[0.00006901783,0.00009165284,0.0001214417,0.0001314824,0.0001157066,0.0001318492,0.0001112561,0.0002405548,0.0003834892],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002320512,"about_ca_system_score_gemma":0.0001814532,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003341018,"about_ca_topic_score_gemma":0.001039103,"domain_scores_codex":[0.999953,0.00000674145,0.000003025707,0.00001160549,0.00001283419,0.00001278329],"domain_scores_gemma":[0.9999617,0.000003545763,0.00001381752,0.000003991798,0.000005936761,0.00001099051],"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":[0.0002667258,0.000108183,0.0005611022,0.0001912832,0.00001470222,0.0002473142,0.00003615646,0.001167378,0.9723613,0.0007147571,0.0003939276,0.02393706],"study_design_scores_gemma":[0.0001905215,0.003163691,0.004434562,0.00001942274,0.00005449664,0.00144312,0.00002276403,0.003666799,0.9555981,0.0001349808,0.03123959,0.00003203197],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9438487,0.01543586,0.02695962,0.0001633486,0.00009565603,0.0002062459,0.001591188,0.0003873286,0.01131204],"genre_scores_gemma":[0.9737257,0.003555036,0.01687925,0.000102285,0.00002829301,0.00009470273,0.001350651,0.00001967031,0.004244336],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008884917,"threshold_uncertainty_score":0.002972305,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01142970646629351,"score_gpt":0.2234871538150706,"score_spread":0.2120574473487771,"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."}}