{"id":"W2062301657","doi":"10.1021/jm701190v","title":"Exploring Inhibitor Binding at the S′ Subsites of Cathepsin L","year":2008,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Bone Metabolism and Diseases","field":"Biochemistry, Genetics and Molecular Biology","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University; National Research Council Canada; Biotechnology Research Institute","funders":"","keywords":"Chemistry; Stereochemistry; Cathepsin; Substrate specificity; Biochemistry; Enzyme; Computational biology","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":[0.0002446895,0.0001006838,0.0001874991,0.00002039205,0.00008144,0.000003161857,0.0001878863,0.00005351754,0.00006121361],"category_scores_gemma":[0.0002755416,0.00006422877,0.0001493616,0.00007111049,0.0001936596,0.00000721176,0.0000693185,0.0001237281,0.000001787659],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001391818,"about_ca_system_score_gemma":0.0001264943,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000004484016,"about_ca_topic_score_gemma":7.122817e-7,"domain_scores_codex":[0.999116,0.00002190287,0.0003277898,0.00009946976,0.0003015817,0.000133242],"domain_scores_gemma":[0.9992424,0.00003049721,0.0002984709,0.0001842335,0.0001307006,0.0001137505],"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":[0.0001804108,0.00004694828,0.007497645,0.0000474256,0.0000399586,0.00003768227,0.0001152018,0.000007237268,0.9880099,9.369444e-7,0.003660074,0.0003566203],"study_design_scores_gemma":[0.000554869,0.00007462487,0.003521711,0.00006565709,0.00005712937,0.0007162172,0.0003440109,7.557902e-7,0.98468,0.00000486501,0.009910825,0.00006933929],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.990692,0.008411439,0.00002315244,0.0001569237,0.0001688919,0.00002318812,0.000008002413,0.000001736569,0.0005146699],"genre_scores_gemma":[0.9964782,0.001745004,0.0000707782,0.00005259003,0.001124979,0.000001783177,0.00000808979,0.00001018492,0.0005083807],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006666436,"threshold_uncertainty_score":0.2619173,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05359246787349363,"score_gpt":0.2453866201792806,"score_spread":0.191794152305787,"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."}}