{"id":"W3163488432","doi":"10.1016/j.biopha.2021.111678","title":"New nitric oxide-releasing indomethacin derivatives with 1,3-thiazolidine-4-one scaffold: Design, synthesis, in silico and in vitro studies","year":2021,"lang":"en","type":"article","venue":"Biomedicine & Pharmacotherapy","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":14,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Ligue Contre le Cancer; Agence Universitaire de la Francophonie; Agence Nationale de la Recherche","keywords":"Chemistry; Thiazolidine; Nitric oxide; Pharmacology; ADME; In vitro; Simvastatin; Docking (animal); Antioxidant; Biochemistry; Stereochemistry; Combinatorial chemistry; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"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":[0.0001608862,0.0003341263,0.0003289046,0.0002353395,0.0001343775,0.0002497956,0.0004322512,0.0003018947,0.001181978],"category_scores_gemma":[0.0001718607,0.0001445549,0.000363356,0.0001884347,0.000163451,0.0002832937,0.000162249,0.0004048325,0.0003789143],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000205845,"about_ca_system_score_gemma":0.0002509125,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003679924,"about_ca_topic_score_gemma":0.001066291,"domain_scores_codex":[0.9999248,0.00001391353,0.000007920339,0.00001461955,0.00002280978,0.00001604021],"domain_scores_gemma":[0.9999336,0.000008757343,0.00002390999,0.000005770964,0.00001216274,0.00001576034],"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":[0.0005008088,0.0001837814,0.0004071147,0.001322792,0.00006351913,0.0007967077,0.00008243632,0.002767853,0.9763219,0.0007618743,0.0002763043,0.01651486],"study_design_scores_gemma":[0.0002472121,0.005346677,0.002117906,0.0000734675,0.0001725539,0.0008871796,0.00008951723,0.00276848,0.9597408,0.0001863256,0.02832209,0.00004774548],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9456546,0.03354261,0.01417061,0.0003580504,0.0001640523,0.0003701567,0.0008841793,0.0001119055,0.004743989],"genre_scores_gemma":[0.952133,0.01768806,0.02349351,0.0001054641,0.00003927458,0.0001817209,0.0008142874,0.00001832756,0.005526392],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001181978,"threshold_uncertainty_score":0.003954172,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0658246165871774,"score_gpt":0.3204456138256924,"score_spread":0.254620997238515,"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."}}