{"id":"W2013525230","doi":"10.1021/bi702156h","title":"Probing the Acyl-Binding Pocket of Aminoacylase-1","year":2008,"lang":"en","type":"article","venue":"Biochemistry","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"National Research Council Canada; Biotechnology Research Institute","funders":"","keywords":"Chemistry; Stereochemistry; Steric effects; Enzyme; Quantitative structure–activity relationship; Binding site; Biocatalysis; Active site; Hydrolase; Biochemistry; Catalysis; Reaction mechanism","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":[0.000162567,0.0002447463,0.0002224325,0.0001276462,0.00008598983,0.0002275637,0.0001934475,0.000223698,0.0005689256],"category_scores_gemma":[0.0003406844,0.0000960632,0.0002628797,0.0001647594,0.000163037,0.0001817122,0.0001715171,0.0003453408,0.0001611762],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00030711,"about_ca_system_score_gemma":0.0001483347,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007933832,"about_ca_topic_score_gemma":0.0006536,"domain_scores_codex":[0.999894,0.00002893508,0.000003891011,0.00002322756,0.0000354301,0.0000144967],"domain_scores_gemma":[0.9999249,0.00003550307,0.00002025555,0.000004294734,0.000008033988,0.000007087698],"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":[0.0001301112,0.0000237696,0.001779325,0.0000658739,0.000009489708,0.00003410479,0.00002485902,0.006945273,0.9869625,0.0002272687,0.00003461235,0.00376275],"study_design_scores_gemma":[0.00002840746,0.0007222003,0.01244452,0.000006239934,0.00002551405,0.0002340005,0.00007481573,0.1245221,0.8601931,0.000366746,0.001361993,0.00002026375],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9945735,0.0003144005,0.004653111,0.00002921412,0.000002025399,0.000005083896,0.00009770383,0.0000192922,0.0003056198],"genre_scores_gemma":[0.9949138,0.0002209741,0.00439879,0.000008170815,0.000001399916,0.000005842226,0.0002476225,0.000004649999,0.0001987507],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0007933832,"threshold_uncertainty_score":0.00222826,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02397036686524085,"score_gpt":0.256518594735243,"score_spread":0.2325482278700021,"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."}}