{"id":"W2081316712","doi":"10.1021/ja017099+","title":"Amplification of Screening Sensitivity through Selective Destruction:  Theory and Screening of a Library of Carbonic Anhydrase Inhibitors","year":2002,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Enzyme function and inhibition","field":"Biochemistry, Genetics and Molecular Biology","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"","keywords":"Chemistry; Carbonic anhydrase; Sulfonamide; Dipeptide; Carbonic anhydrase II; Enzyme; Combinatorial chemistry; Acetazolamide; Enzyme inhibitor; Stereochemistry; Biochemistry; Peptide","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":[0.0002481006,0.00008161211,0.0002128731,0.00001357882,0.00003508532,0.000004027024,0.00006634107,0.00006196882,0.000006326974],"category_scores_gemma":[0.000130804,0.00006256938,0.0002542221,0.0002214745,0.0004937341,0.00002119493,0.00006445827,0.000158508,2.848015e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001015128,"about_ca_system_score_gemma":0.00002402861,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001454641,"about_ca_topic_score_gemma":2.611762e-7,"domain_scores_codex":[0.999209,0.0001369695,0.0003155147,0.000105129,0.0001500374,0.00008331039],"domain_scores_gemma":[0.9987745,0.00006892528,0.0008749735,0.0001225554,0.0001249967,0.00003400489],"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":[0.0001593244,0.00005082472,0.004609306,0.00001708591,0.00009507398,1.386769e-7,0.0002307344,0.00005770902,0.9917684,0.0000328927,0.001369729,0.001608758],"study_design_scores_gemma":[0.000304856,0.0001884699,0.003207004,0.00006090732,0.00004941056,0.00004981831,0.0006906167,0.0001695003,0.9949614,0.0001385501,0.0001187063,0.00006073747],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9921494,0.0003309253,0.007124683,0.0002037204,0.00002910069,0.00004609565,0.000008757356,0.000002667082,0.0001046688],"genre_scores_gemma":[0.9919245,0.0002443405,0.007505482,0.000154656,0.0001413667,5.536618e-7,0.000003104052,0.000009335527,0.00001668676],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003193,"threshold_uncertainty_score":0.2551505,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00989803864147634,"score_gpt":0.2250927673788418,"score_spread":0.2151947287373654,"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."}}