{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003695608,0.0001924428,0.0003300964,0.001306033,0.0002069167,0.0003600233,0.0001764309,0.0002493473,0.0007885438],"category_scores_gemma":[0.0008025282,0.00009175953,0.0003945841,0.0006868708,0.0001713712,0.0002913573,0.0001639778,0.0002787622,0.0001879786],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002341698,"about_ca_system_score_gemma":0.0001721282,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006693938,"about_ca_topic_score_gemma":0.0008195849,"domain_scores_codex":[0.9998091,0.00004034434,0.00001530157,0.0000305787,0.00007929969,0.00002552389],"domain_scores_gemma":[0.9993735,0.0002519015,0.0001554927,0.00005170529,0.0001099852,0.00005753582],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001267357,0.0002304134,0.04455705,0.0002957475,0.00009989036,0.0002151911,0.0001417157,0.01739162,0.8859635,0.001252856,0.0003883782,0.0481962],"study_design_scores_gemma":[0.00008435895,0.00193765,0.178259,0.00003008755,0.0002560247,0.001172985,0.0002257326,0.2722383,0.5378187,0.002348245,0.005549223,0.00007975391],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9901833,0.0003740495,0.007357059,0.00003246377,0.00000447881,0.0000337782,0.0006938473,0.00014283,0.001178265],"genre_scores_gemma":[0.987447,0.000216192,0.01080954,0.00001480132,0.00000239039,0.00002334706,0.001178162,0.00001819985,0.0002903408],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001306033,"threshold_uncertainty_score":0.002637923,"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."}}