{"id":"W3161263118","doi":"10.1101/2021.05.17.444542","title":"Structure Activity Relationship of USP5 Allosteric Inhibitors","year":2021,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Ubiquitin and proteasome pathways","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Structural Genomics Consortium; University Health Network; Canada Research Chairs; Ontario Institute for Cancer Research; University of Toronto","funders":"Ontario Genomics; Genome Canada; Genentech; Bayer","keywords":"Ubiquitin; Allosteric regulation; Deubiquitinating enzyme; Chemistry; Computational biology; Biochemistry; Enzyme; Cell biology; Biology; Stereochemistry; Gene","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002467449,0.0004710637,0.0003470755,0.0004486183,0.0001723374,0.000331773,0.0005646932,0.0002701949,0.005324303],"category_scores_gemma":[0.0002121411,0.0002262777,0.0002822081,0.0002944402,0.0001698479,0.0002059864,0.0002314923,0.0004945823,0.001146046],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005863282,"about_ca_system_score_gemma":0.0002707348,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000875915,"about_ca_topic_score_gemma":0.001011129,"domain_scores_codex":[0.9998654,0.00002644063,0.00001093417,0.00002883932,0.00003773407,0.00003052361],"domain_scores_gemma":[0.999904,0.00002734649,0.00001840521,0.00001047414,0.00001900718,0.00002081622],"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":[0.001028341,0.0006324286,0.0007650854,0.0003466969,0.0000628058,0.0001729636,0.00006136021,0.006850821,0.9608552,0.002198722,0.001958788,0.02506677],"study_design_scores_gemma":[0.000272143,0.003751162,0.00151384,0.00003541595,0.00008290487,0.00026084,0.00003143936,0.00463051,0.9753549,0.0003848647,0.0136527,0.00002930658],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9417639,0.01430473,0.008482954,0.0004613272,0.0001310487,0.0003374693,0.003334626,0.0005109325,0.03067308],"genre_scores_gemma":[0.9741006,0.005314256,0.005895841,0.0002521925,0.00002556435,0.0001523862,0.002943413,0.00005453692,0.01126112],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005324303,"threshold_uncertainty_score":0.0178116,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01557421151085784,"score_gpt":0.225071163159306,"score_spread":0.2094969516484482,"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."}}