{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001284509,0.0001723645,0.0001620398,0.00001713945,0.00003516941,0.00001069522,0.0002222426,0.0001184233,0.00004189194],"category_scores_gemma":[0.00008331604,0.0001253231,0.00008234206,0.00006299239,0.0001709366,0.00001093774,0.00007686851,0.00004634326,0.000004000436],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000021953,"about_ca_system_score_gemma":0.00004904933,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003253088,"about_ca_topic_score_gemma":6.752844e-7,"domain_scores_codex":[0.9988784,0.000021763,0.0002612578,0.0003198594,0.0002809649,0.000237794],"domain_scores_gemma":[0.9993569,0.00001794899,0.0001404635,0.000335005,0.00002773538,0.0001218934],"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":[0.0000658853,0.00002042001,0.0004727044,0.0000222509,0.00004044771,0.000003399707,0.00001226424,5.231619e-7,0.9066417,0.000003039662,0.08973883,0.002978538],"study_design_scores_gemma":[0.0009667717,0.00005285058,0.0001388548,0.0001167862,0.00001664021,0.00001544309,0.00004401748,6.67337e-7,0.9759301,0.000007501698,0.02254247,0.0001678906],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9806848,0.0004071814,0.01225246,0.006110323,0.00007946613,0.00008690973,0.00003238392,0.00001276927,0.0003336996],"genre_scores_gemma":[0.9945834,0.00008269772,0.0006143345,0.001224979,0.0005069253,0.000006489201,0.0000987938,0.00002050823,0.002861881],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06928842,"threshold_uncertainty_score":0.5110527,"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."}}