{"id":"W2022203610","doi":"10.1021/jm031079w","title":"Carbonic Anhydrase Inhibitors. Design of Selective, Membrane-Impermeant Inhibitors Targeting the Human Tumor-Associated Isozyme IX","year":2004,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Enzyme function and inhibition","field":"Biochemistry, Genetics and Molecular Biology","cited_by":150,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canadian Institutes of Health Research; University of Alberta","funders":"","keywords":"Isozyme; Chemistry; Carbonic anhydrase; Pyridinium; Cytosol; Aryl; Enzyme; Stereochemistry; Membrane; Alkyl; Carbonic anhydrase II; Enzyme inhibitor; Alkylation; Biochemistry; Medicinal chemistry; Organic chemistry; 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":[0.001107186,0.0002198889,0.0003249327,0.00005033667,0.0001539419,0.00001536384,0.0002282415,0.0001976952,0.0000477985],"category_scores_gemma":[0.0006957652,0.0001592975,0.0002208986,0.0002069874,0.000207785,0.00001377384,0.00004865948,0.0005200451,9.415189e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001395763,"about_ca_system_score_gemma":0.0004077968,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002678189,"about_ca_topic_score_gemma":0.000003619421,"domain_scores_codex":[0.9981058,0.0001013242,0.0007847031,0.0002104019,0.0005194367,0.0002783647],"domain_scores_gemma":[0.9982913,0.0000376975,0.0008904196,0.0001854643,0.0004408271,0.0001543258],"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":[0.0001416223,0.0001674937,0.0003961206,0.00004861961,0.0001008335,0.00003439476,0.0001452171,0.001070474,0.9917029,0.000003372842,0.00615841,0.00003053359],"study_design_scores_gemma":[0.002006036,0.0006459633,0.0001341871,0.0002885982,0.00009452175,0.0002973133,0.0005798034,0.0000207327,0.9950094,0.00007627573,0.0006832516,0.0001638729],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9970047,0.001278898,0.0003707006,0.0003879041,0.0002498292,0.000109991,0.000005332445,0.000009123986,0.0005835369],"genre_scores_gemma":[0.9980699,0.0001209468,0.0001058466,0.000239271,0.001288173,0.00000371626,0.00002887152,0.0000263545,0.0001169272],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005475158,"threshold_uncertainty_score":0.6495965,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008348009060418913,"score_gpt":0.2328366001065654,"score_spread":0.2244885910461465,"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."}}