{"id":"W3164750745","doi":"10.1080/14756366.2021.1929202","title":"Anion inhibition studies of the α-carbonic anhydrases from <i>Neisseria gonorrhoeae</i>","year":2021,"lang":"en","type":"article","venue":"Journal of Enzyme Inhibition and Medicinal Chemistry","topic":"Enzyme function and inhibition","field":"Biochemistry, Genetics and Molecular Biology","cited_by":30,"is_retracted":false,"has_abstract":true,"ca_institutions":"Purdue Pharma (Canada)","funders":"National Institute of Allergy and Infectious Diseases; Ministero dell’Istruzione, dell’Università e della Ricerca","keywords":"Chemistry; Sulfamide; Carbonic anhydrase; Thiocyanate; Bicarbonate; Inorganic chemistry; Formate; Perrhenate; Perchlorate; Medicinal chemistry; Nuclear chemistry; Organic chemistry; Enzyme; Catalysis","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003594374,0.0004385302,0.0004171905,0.0001129714,0.0001488616,0.0001754231,0.0002924315,0.0003243981,0.0007755964],"category_scores_gemma":[0.0003022138,0.0001584519,0.0004342892,0.0001917089,0.0001402174,0.0002040476,0.0001611401,0.0003810557,0.0002308371],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002523281,"about_ca_system_score_gemma":0.0002178338,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.005315701,"about_ca_topic_score_gemma":0.003852982,"domain_scores_codex":[0.9996505,0.00009489895,0.00004892719,0.000046208,0.0001037161,0.00005574025],"domain_scores_gemma":[0.9998071,0.00005970939,0.00003762518,0.00001162977,0.00005858959,0.00002531637],"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":[0.0002512052,0.0000540418,0.0002684184,0.0001058747,0.00001760822,0.0000440666,0.00003860861,0.0001754507,0.9971637,0.00003561972,0.00005883669,0.001786567],"study_design_scores_gemma":[0.00003489626,0.001038634,0.004695966,0.0000107242,0.00003069146,0.0001846285,0.00003316548,0.0008865853,0.9896072,0.00001950697,0.003445639,0.0000124349],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9880031,0.005712871,0.002217832,0.0001454279,0.00005134963,0.0000858549,0.0006412992,0.00004696419,0.003095325],"genre_scores_gemma":[0.9874229,0.004084507,0.004142447,0.00008179295,0.00003340693,0.00005033729,0.001385639,0.00001985598,0.002779066],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005315701,"threshold_uncertainty_score":0.01056951,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01445889046641854,"score_gpt":0.2591182295381981,"score_spread":0.2446593390717796,"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."}}