{"id":"W2028561673","doi":"10.1021/jm300346w","title":"Druggability Analysis and Structural Classification of Bromodomain Acetyl-lysine Binding Sites","year":2012,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":273,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Canada Foundation for Innovation; Wellcome Trust; Cancer Research UK; Takeda Pharmaceuticals North America; Abbott Laboratories; Wellcome; GlaxoSmithKline; Canadian Institutes of Health Research; National Institute for Health and Care Research; Novartis; Pfizer","keywords":"Bromodomain; Druggability; Chemistry; Computational biology; Lysine; Drug discovery; Epigenetics; Amino acid; Biochemistry; Gene; Biology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000589379,0.00009149162,0.0002201134,0.00005540322,0.00003362217,0.000006310897,0.000101867,0.0001028003,0.00007000066],"category_scores_gemma":[0.0003369737,0.0000718504,0.0001202711,0.000177017,0.0001239203,0.00001315838,0.00003259126,0.0001252105,2.34272e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002254515,"about_ca_system_score_gemma":0.00004128119,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000003123913,"about_ca_topic_score_gemma":9.436274e-7,"domain_scores_codex":[0.9991215,0.00003963344,0.0003854547,0.00009792535,0.0002340397,0.0001214269],"domain_scores_gemma":[0.9990947,0.00002197467,0.0004493122,0.0001480845,0.0001494495,0.0001365002],"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":[0.00006220661,0.00002414673,0.1078957,0.00004388366,0.0001617417,4.250982e-7,0.00004904257,0.000002889876,0.8907515,0.00000265209,0.0001883033,0.0008175101],"study_design_scores_gemma":[0.0004062002,0.00008243906,0.06810864,0.00002005441,0.00025841,0.00006925523,0.0003095638,0.00007695494,0.9301506,0.0000162077,0.0004262444,0.00007538125],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9976739,0.001266848,0.0006125803,0.0001928748,0.00005204822,0.00002986635,0.000006948621,0.000001652738,0.000163301],"genre_scores_gemma":[0.9985379,0.00007487053,0.0007801158,0.00001829676,0.0004550563,6.679358e-7,0.00004308349,0.000005010461,0.00008500726],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03978705,"threshold_uncertainty_score":0.2929974,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01226193625074663,"score_gpt":0.2757646594124243,"score_spread":0.2635027231616777,"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."}}