{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.001113936,0.0001830855,0.0003504029,0.0001690662,0.0001603144,0.000009998902,0.0001058918,0.00006417445,0.0003703412],"category_scores_gemma":[0.0005066297,0.0001577983,0.0001004797,0.0001276229,0.0001186354,0.00003684981,0.0001314872,0.000159924,0.00001837334],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00008230817,"about_ca_system_score_gemma":0.00007677333,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001657773,"about_ca_topic_score_gemma":9.61453e-7,"domain_scores_codex":[0.9976327,0.0007941615,0.0003054617,0.0003146965,0.0007183355,0.0002346345],"domain_scores_gemma":[0.9991711,0.0002021082,0.0001473035,0.0002578018,0.00009629479,0.0001254119],"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":[0.0009099634,0.0006272154,0.07103514,0.0004408425,0.0004484607,0.000649667,0.00177387,0.002679361,0.8869407,0.000549654,0.002643545,0.03130161],"study_design_scores_gemma":[0.002702779,0.000690676,0.1871192,0.0001474801,0.0005829334,0.0002263236,0.0006258464,0.0176621,0.7879302,0.0006762586,0.001176667,0.000459525],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971982,0.001136825,0.0001681593,0.0001398771,0.0001332091,0.0007285291,0.00000934866,0.00004976148,0.0004360719],"genre_scores_gemma":[0.9989767,0.00007532681,0.0003377279,0.0002275928,0.00004581753,0.0002715101,0.00001576977,0.00002564395,0.00002387896],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1160841,"threshold_uncertainty_score":0.6434829,"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."}}