{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002602299,0.0001538048,0.0002605161,0.00002735546,0.00008356376,0.00001468467,0.00005339713,0.0001544463,0.0001044727],"category_scores_gemma":[0.0004625698,0.0001146852,0.0001637864,0.0001476776,0.0002049248,0.00002006033,0.00007582828,0.0002266121,6.483639e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003266886,"about_ca_system_score_gemma":0.0001802271,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000495152,"about_ca_topic_score_gemma":0.000009985957,"domain_scores_codex":[0.9988891,0.00007739107,0.0005324279,0.0001971746,0.0001733978,0.0001304687],"domain_scores_gemma":[0.9986601,0.00003848729,0.0004851647,0.0001917566,0.0005232497,0.0001012678],"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":[0.000128933,0.00008453739,0.000440135,0.00007971696,0.00006843016,0.000008670229,0.00007297878,0.00001040356,0.9892007,0.00002606563,0.009650681,0.0002287828],"study_design_scores_gemma":[0.001246594,0.0001824559,0.0006173282,0.0006032651,0.00009739954,0.0005111285,0.001583201,0.000005656151,0.9871465,0.0003620966,0.007531085,0.0001132965],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.988079,0.009499037,0.00018614,0.001014608,0.0003755596,0.00004778185,0.00002499866,0.000004746998,0.0007681676],"genre_scores_gemma":[0.9956501,0.002174876,0.00009220011,0.0007690477,0.0008832067,0.00000260457,0.00007983476,0.00001235816,0.0003357622],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007571149,"threshold_uncertainty_score":0.4676725,"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."}}