{"id":"W4283822894","doi":"10.1016/j.molstruc.2022.133672","title":"Sulfonamide diuretic azosemide as an efficient carbonic anhydrase inhibitor","year":2022,"lang":"en","type":"article","venue":"Journal of Molecular Structure","topic":"Enzyme function and inhibition","field":"Biochemistry, Genetics and Molecular Biology","cited_by":23,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Ministerul Cercetării şi Inovării; Ontario Ministry of Research, Innovation and Science; Unitatea Executiva pentru Finantarea Invatamantului Superior, a Cercetarii, Dezvoltarii si Inovarii; Corporation for National and Community Service","keywords":"Chemistry; Loop diuretic; Furosemide; Pharmacology; Carbonic anhydrase; Potency; Diuretic; Bioisostere; Sulfonamide; In vitro; Stereochemistry; Biochemistry; Enzyme; Chemical synthesis; Organic chemistry; Medicine","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":[0.0002242803,0.0002329081,0.0002948056,0.0001655039,0.0001475495,0.0002621166,0.0003584883,0.0001876437,0.0005611776],"category_scores_gemma":[0.0001421236,0.0001049992,0.0001393518,0.0001322578,0.0001545563,0.0001541311,0.0001476937,0.0004215211,0.0001417526],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003569618,"about_ca_system_score_gemma":0.0004140688,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0016621,"about_ca_topic_score_gemma":0.003876304,"domain_scores_codex":[0.9998608,0.00002963637,0.000009097962,0.00001694641,0.00005518006,0.00002837894],"domain_scores_gemma":[0.9999528,0.000008544906,0.000006092947,0.000003813771,0.00001029785,0.00001854736],"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":[0.0009964089,0.0001305556,0.0004526352,0.00007125377,0.00002607166,0.0001813744,0.00002079157,0.0004521807,0.9814116,0.0007969454,0.0005228145,0.0149373],"study_design_scores_gemma":[0.0004464411,0.00232396,0.003800812,0.0000104634,0.00008004835,0.0008239571,0.00001436791,0.005102403,0.9652094,0.0001179235,0.02205682,0.00001334713],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9683092,0.01548681,0.007922657,0.0004650661,0.0002783921,0.0001237707,0.0002857157,0.0001634201,0.006964987],"genre_scores_gemma":[0.9908184,0.002584699,0.003559716,0.000066402,0.00003723997,0.00002058027,0.0002789253,0.00001031476,0.002623681],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0016621,"threshold_uncertainty_score":0.00330478,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.002799632552129433,"score_gpt":0.2179183457683719,"score_spread":0.2151187132162424,"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."}}