{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00006747076,0.00007289455,0.0001309131,0.00002610274,0.00008146061,0.000003280013,0.00006177557,0.00005254109,0.0003009354],"category_scores_gemma":[0.00007631911,0.0000499192,0.0001155051,0.0001618117,0.0001191509,0.00001612032,0.00002507823,0.00009985806,0.00002350815],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002591445,"about_ca_system_score_gemma":0.00006938726,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000606681,"about_ca_topic_score_gemma":1.484611e-7,"domain_scores_codex":[0.9994375,0.000007468431,0.0001588466,0.0001214506,0.000162871,0.0001119259],"domain_scores_gemma":[0.9995662,0.00002188403,0.00007149198,0.00023037,0.00005122333,0.00005885205],"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":[0.00001353122,0.00006066126,0.00219325,0.00007156119,0.00003438906,0.00002793781,0.000110351,4.31772e-7,0.9922259,0.000005977154,0.005093812,0.000162126],"study_design_scores_gemma":[0.0003389398,0.00001338936,0.0008019322,0.0001927791,0.00003509597,0.0001753683,0.0002536078,0.00005214363,0.9976455,0.000003745218,0.0004312663,0.00005622888],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9910536,0.00009559382,0.00001783285,0.0005850306,0.000007164999,0.00004936283,0.000009620687,0.00002739173,0.008154366],"genre_scores_gemma":[0.9952707,0.00001316202,0.0001452585,0.0002627436,0.0001117017,0.000005108997,0.00004005259,0.000007009325,0.004144303],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005419532,"threshold_uncertainty_score":0.3295032,"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."}}