{"id":"W4213100248","doi":"10.3390/molecules27041262","title":"Drug Design, Synthesis and Biological Evaluation of Heterocyclic Molecules as Anti-Inflammatory Agents","year":2022,"lang":"en","type":"article","venue":"Molecules","topic":"Inflammatory mediators and NSAID effects","field":"Medicine","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"King Saud University","keywords":"Docking (animal); Chemistry; Pharmacology; In vivo; Anti-inflammatory; In silico; Protein Data Bank (RCSB PDB); Moiety; Enzyme; Stereochemistry; Biochemistry; Medicine; Biology","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":[0.00023661,0.0003069809,0.0005343084,0.0003457539,0.0002624004,0.0003903113,0.0005012371,0.0003913918,0.003207739],"category_scores_gemma":[0.0002096919,0.0001763479,0.0003884209,0.0003794113,0.0001691817,0.0004048142,0.0002924267,0.0005948662,0.0008024971],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002972004,"about_ca_system_score_gemma":0.0003337303,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005057402,"about_ca_topic_score_gemma":0.001411294,"domain_scores_codex":[0.9998996,0.00001895232,0.000008158385,0.00002141777,0.00003078654,0.00002118179],"domain_scores_gemma":[0.9999394,0.000007333688,0.00001399876,0.000006477755,0.00001757974,0.00001522069],"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":[0.0008052074,0.001015024,0.0005315152,0.004194037,0.0001662175,0.001014208,0.0001418164,0.0163467,0.8899496,0.009806399,0.00315154,0.0728777],"study_design_scores_gemma":[0.0006531734,0.01114652,0.003027883,0.0003363256,0.0002899634,0.000874728,0.000123259,0.01304142,0.8092139,0.001836931,0.1593481,0.0001077732],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7983415,0.1065867,0.04419399,0.001309653,0.0008602727,0.001853802,0.004859598,0.0004767578,0.04151775],"genre_scores_gemma":[0.9074035,0.05334667,0.02506131,0.0004198092,0.0001164739,0.0006602347,0.001977002,0.0000480674,0.01096686],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003207739,"threshold_uncertainty_score":0.01073098,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03827445865847992,"score_gpt":0.2886049892966717,"score_spread":0.2503305306381918,"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."}}