{"id":"W4411138285","doi":"10.1021/acsmedchemlett.5c00125","title":"Exploring the Ligandability of 53BP1 through Fragment-Based Approaches","year":2025,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"DNA Repair Mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Eshelman Institute for Innovation, University of North Carolina at Chapel Hill; National Institute of General Medical Sciences; Innovative Medicines Initiative; Novartis; Canada Foundation for Innovation; Ontario Ministry of Economic Development and Innovation; Structural Genomics Consortium; Janssen Pharmaceuticals; Takeda Foundation; Wellcome Trust; AbbVie; Merck; Bayer; Fundação de Amparo à Pesquisa do Estado de São Paulo; Genome Canada; Pfizer; Boehringer Ingelheim","keywords":"Histone; Computational biology; DNA; Biology; Genetics; Cancer research; Chemistry; Molecular biology","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":false},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000324484,0.0001756672,0.0001822292,0.0000120194,0.00007421328,0.000009011515,0.0003925999,0.00007841397,0.00001431979],"category_scores_gemma":[0.0001665107,0.0001323211,0.0001113459,0.0001352189,0.0002827286,0.000005576353,0.000115556,0.0001666547,0.000001168895],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003080732,"about_ca_system_score_gemma":0.00009325826,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002301958,"about_ca_topic_score_gemma":0.000001354874,"domain_scores_codex":[0.9988706,0.00003973358,0.0002616041,0.0003606681,0.0002354222,0.0002319679],"domain_scores_gemma":[0.9990991,0.00005328976,0.00009356487,0.000673795,0.00004004422,0.0000402518],"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":[0.00007445875,0.00004962433,0.000504841,0.0002066951,0.00007125727,0.000002663842,0.00009600301,0.00009471776,0.996771,0.00003169439,0.001121497,0.0009755921],"study_design_scores_gemma":[0.0004345519,0.00002938829,0.0002718105,0.00007109308,0.00005061933,0.000003389748,0.0004505356,0.00003238939,0.9947067,0.00006166387,0.00377447,0.0001133703],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9889171,0.0002546247,0.004129568,0.00446194,0.0001701711,0.0001504495,0.000005798703,0.00001772292,0.001892701],"genre_scores_gemma":[0.9969437,0.00002299593,0.0006366639,0.001941612,0.0001824881,0.00008205099,0.00004442646,0.00001281789,0.0001332977],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.008026623,"threshold_uncertainty_score":0.5395898,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04730104274304048,"score_gpt":0.2487400161669874,"score_spread":0.2014389734239469,"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."}}