{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000589874,0.0005568184,0.0005878704,0.0007210486,0.0002640208,0.0007709008,0.0009733778,0.0006950983,0.0008182006],"category_scores_gemma":[0.001521651,0.0004822336,0.0005255816,0.0004006035,0.00133848,0.0008149546,0.0006811584,0.000792105,0.0002947673],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001175778,"about_ca_system_score_gemma":0.000357331,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005201455,"about_ca_topic_score_gemma":0.0003886964,"domain_scores_codex":[0.9993584,0.0001184473,0.000022502,0.0001493065,0.0002579177,0.00009349093],"domain_scores_gemma":[0.9992033,0.0005280899,0.00008788786,0.00007127797,0.00007456826,0.00003485704],"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":[0.000156177,0.0001325804,0.001036618,0.0003204269,0.00003876335,0.0003420216,0.0001107902,0.06208152,0.8669975,0.03499967,0.0004915416,0.03329239],"study_design_scores_gemma":[0.00003761782,0.0004367264,0.0005784118,0.00001805381,0.00003910769,0.000330096,0.00002335031,0.4678561,0.5174953,0.009889735,0.003256385,0.00003894519],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"methods","genre_gemma":"empirical","genre_scores_codex":[0.2708656,0.002504388,0.7084979,0.0006782124,0.00006846861,0.0002220434,0.0001282218,0.001031423,0.01600367],"genre_scores_gemma":[0.9219859,0.001646404,0.07155477,0.000386422,0.00003408118,0.0002954358,0.00007710837,0.00005883542,0.003960993],"genre_candidate":"empirical","genre_consensus":null,"teacher_disagreement_score":0.001175778,"threshold_uncertainty_score":0.008530915,"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."}}