{"id":"W2112029171","doi":"10.5539/ijc.v6n2p48","title":"Molecular Modeling Study of PPARr Agonists: Dehydro-Di-Isoeugenol, Macelignan, Pioglitazone, Netoglitazone, and Rosiglitazone as Antidiabetic Drugs","year":2014,"lang":"en","type":"article","venue":"International Journal of Chemistry","topic":"Peroxisome Proliferator-Activated Receptors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":11,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"","keywords":"Pioglitazone; Chemistry; Rosiglitazone; Hydrogen bond; AutoDock; Docking (animal); Stereochemistry; Ligand (biochemistry); Receptor; Biochemistry; Endocrinology; Molecule; Organic chemistry; Diabetes mellitus","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002081292,0.0008223499,0.0009565732,0.0003311264,0.0004893419,0.00059099,0.0009593565,0.0006504268,0.002577778],"category_scores_gemma":[0.0002767328,0.0003064984,0.0008197997,0.0004689937,0.0001737581,0.0005934547,0.0003777418,0.0005755915,0.0004044121],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006387612,"about_ca_system_score_gemma":0.0009747694,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.007059265,"about_ca_topic_score_gemma":0.004506435,"domain_scores_codex":[0.9998677,0.00003481515,0.000006162034,0.00002333227,0.00003617,0.00003183091],"domain_scores_gemma":[0.9999242,0.00002382896,0.00001453948,0.000003818371,0.00001847027,0.00001514213],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006277684,0.0003582234,0.002834823,0.0005972673,0.0002930141,0.0008406247,0.000136176,0.9351293,0.03960175,0.007092792,0.001938101,0.01055024],"study_design_scores_gemma":[0.0001051707,0.0001545688,0.0005442077,0.00002399724,0.00005488111,0.00007185312,0.00005602757,0.9897754,0.005425453,0.0006349942,0.003135058,0.00001838837],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8968299,0.007493857,0.07122856,0.001436609,0.0002259346,0.0001650951,0.001434272,0.0008132702,0.02037257],"genre_scores_gemma":[0.9551978,0.005647958,0.0307349,0.0001951108,0.00003666016,0.0003454785,0.001644715,0.0001131634,0.006084221],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007059265,"threshold_uncertainty_score":0.01403636,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004479797087858916,"score_gpt":0.2439322701788252,"score_spread":0.2394524730909663,"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."}}