{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0007155298,0.0002678204,0.0006865149,0.00006283647,0.0000568935,0.000009845186,0.0002942202,0.0002097531,0.0001169892],"category_scores_gemma":[0.0004154812,0.0001499937,0.0001372415,0.0003939894,0.0002253198,0.00007951374,0.00005574796,0.0008175758,0.000004941239],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001852851,"about_ca_system_score_gemma":0.0009013202,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007145164,"about_ca_topic_score_gemma":0.000004442824,"domain_scores_codex":[0.9980406,0.00006202792,0.000660987,0.000137296,0.0008087599,0.0002903675],"domain_scores_gemma":[0.9977406,0.0001252475,0.0008494817,0.0004133532,0.0004499546,0.0004214058],"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":[0.002224129,0.0001521968,0.006801238,0.0003127153,0.0002829497,0.0004058242,0.0008081387,0.00007400295,0.9846805,0.000002114369,0.003735403,0.0005208135],"study_design_scores_gemma":[0.00676454,0.0004689602,0.002337342,0.0005170844,0.0006983074,0.005481781,0.0005136047,0.000071867,0.981671,0.00005918831,0.001212753,0.000203537],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971009,0.001557719,0.00004053352,0.0004894846,0.0002745131,0.0002049586,0.000009910472,0.0000197799,0.0003021318],"genre_scores_gemma":[0.9986119,0.0001059451,0.00009171177,0.0001428647,0.0008983941,8.712694e-7,0.000009315583,0.00004302899,0.00009597078],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005075957,"threshold_uncertainty_score":0.6116567,"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."}}