{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002148504,0.0001762368,0.0001823364,0.0001202146,0.0001579908,0.00003211978,0.0002352966,0.0001103433,0.0002893586],"category_scores_gemma":[0.0001020442,0.0001634599,0.0001980387,0.0001607422,0.00004945543,0.000006487935,0.0001232061,0.0004238361,0.000001472574],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006054273,"about_ca_system_score_gemma":0.0002170241,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000006440485,"about_ca_topic_score_gemma":0.000005722339,"domain_scores_codex":[0.9984829,0.0002014663,0.0003591903,0.0002448478,0.0004940555,0.000217553],"domain_scores_gemma":[0.9990546,0.000005672731,0.0003053187,0.0003025352,0.0001582259,0.0001736612],"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":[0.0002425558,0.00007982049,0.0001421027,0.000007204025,0.00004519141,0.0001444318,0.00006206809,0.02219577,0.974521,0.0002539184,0.00201283,0.0002931403],"study_design_scores_gemma":[0.001440917,0.002115801,0.0005070849,0.00001532968,0.00007041496,0.00192943,0.0003107478,0.0002739227,0.9638867,0.0005371586,0.02862195,0.0002904827],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.996825,0.001171497,0.0005462994,0.0002587055,0.0007394775,0.0001066235,0.00003268044,0.000007781598,0.0003119792],"genre_scores_gemma":[0.9977097,0.00001872721,0.0003317417,0.00124679,0.0004094252,0.000002923913,0.00009271947,0.00003255442,0.0001554297],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02660912,"threshold_uncertainty_score":0.6665701,"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."}}