{"id":"W2522007658","doi":"10.1021/acsmedchemlett.6b00154","title":"Discovery of New Bromodomain Scaffolds by Biosensor Fragment Screening","year":2016,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Protein Degradation and Inhibitors","field":"Biochemistry, Genetics and Molecular Biology","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Ministero dello Sviluppo Economico; Fundação de Amparo à Pesquisa do Estado de São Paulo; Structural Genomics Consortium; Ontario Ministry of Economic Development and Innovation; Genome Canada; Novartis Pharma; Wellcome Trust; European Federation of Pharmaceutical Industries and Associations; Wellcome; Merck; Pfizer","keywords":"Bromodomain; BRD4; PCAF; Fragment (logic); Chemistry; Computational biology; Drug discovery; Surface plasmon resonance; Combinatorial chemistry; DNA; Biochemistry; Nanotechnology; Computer science; Biology; Materials science; Algorithm; Chromatin; Nanoparticle; Histone","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":[0.0004334672,0.0005722206,0.0005819799,0.0004590321,0.0001844923,0.00046234,0.0006745099,0.0004409615,0.001305136],"category_scores_gemma":[0.0004666318,0.0002718193,0.0003942645,0.0002973058,0.000261876,0.0002944634,0.0003988958,0.0007153293,0.0006149837],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006035886,"about_ca_system_score_gemma":0.0002389571,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004133655,"about_ca_topic_score_gemma":0.0008971607,"domain_scores_codex":[0.9997097,0.00003847202,0.00001762281,0.0000585344,0.0001174042,0.0000582834],"domain_scores_gemma":[0.9998206,0.00005648458,0.00004147681,0.00001814274,0.00003010121,0.00003315845],"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":[0.00008642148,0.00006452535,0.0001338697,0.0000592149,0.00001212364,0.00006810803,0.00002187548,0.0005977568,0.9907292,0.0002590446,0.000120251,0.00784755],"study_design_scores_gemma":[0.00003958421,0.0004317222,0.0003444166,0.000003835837,0.00001494838,0.0001558559,0.00001294313,0.001659752,0.9944613,0.0000786007,0.002786685,0.00001035568],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8984874,0.005611383,0.08657432,0.0004595122,0.00008524166,0.0005146832,0.001311456,0.0009792424,0.0059767],"genre_scores_gemma":[0.9330462,0.003947231,0.05693424,0.0002227605,0.00002403992,0.0002591965,0.001337579,0.00004919677,0.004179647],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001305136,"threshold_uncertainty_score":0.004379332,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007550531113779401,"score_gpt":0.2220946234111274,"score_spread":0.214544092297348,"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."}}