{"id":"W2976363693","doi":"10.1101/268557","title":"Identification and Structure-Activity Relationship of HDAC6 Zinc-finger Ubiquitin Binding Domain Inhibitors","year":2018,"lang":"en","type":"preprint","venue":"bioRxiv (Cold Spring Harbor Laboratory)","topic":"Histone Deacetylase Inhibitors Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Princess Margaret Cancer Centre; University Health Network; Structural Genomics Consortium; University of Toronto","funders":"","keywords":"Ubiquitin; Chemistry; Proteasome; Zinc finger; Cell biology; Virtual screening; Binding site; Ligand (biochemistry); Binding domain; Computational biology; Biochemistry; Drug discovery; Biophysics; Biology; Receptor","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":[0.0002758953,0.0004835194,0.0005030555,0.000649485,0.0001721302,0.000491303,0.000390656,0.0002818378,0.002936998],"category_scores_gemma":[0.0002571265,0.0001719569,0.0004390069,0.0005221546,0.0001213089,0.0002417538,0.0001991598,0.0004722409,0.0007701651],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004950193,"about_ca_system_score_gemma":0.0002813929,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001050848,"about_ca_topic_score_gemma":0.001350925,"domain_scores_codex":[0.9998478,0.00002272884,0.00001220322,0.00002905241,0.00005310201,0.00003512987],"domain_scores_gemma":[0.9998934,0.00001920057,0.0000201749,0.00001002363,0.00003028854,0.00002690268],"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":[0.001071905,0.0007640735,0.003212697,0.000225454,0.0001421412,0.0001524328,0.00002501356,0.006011867,0.9529917,0.0006337117,0.0008908898,0.03387821],"study_design_scores_gemma":[0.000192099,0.002967135,0.005309354,0.00001224144,0.0001303792,0.0004985938,0.00001861165,0.00529413,0.9773691,0.0001578315,0.008032973,0.00001751519],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9693599,0.01262338,0.005702495,0.0002082949,0.00004660981,0.0002393877,0.003628889,0.0002003792,0.00799067],"genre_scores_gemma":[0.9807124,0.003968241,0.006089866,0.00009947806,0.00002135907,0.00006721766,0.004613773,0.00002735334,0.004400228],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002936998,"threshold_uncertainty_score":0.00982523,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01448907569544224,"score_gpt":0.2562303015421973,"score_spread":0.2417412258467551,"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."}}