{"id":"W7117105568","doi":"10.1021/acsmedchemlett.5c00655","title":"Probing the Chemical Space of Polymerase Theta with Nucleotide Analogues Bearing a Stereogenic All-Carbon Quaternary Center","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 Ottawa; Université de Montréal; Montreal Clinical Research Institute","funders":"Canadian Glycomics Network; Natural Sciences and Engineering Research Council of Canada","keywords":"Stereocenter; Nucleotide; Polymerase; DNA; Poly ADP ribose polymerase; Genome instability; DNA polymerase; Enzyme; Chemical space; Mutation","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":[0.0001880617,0.000237742,0.0002207936,0.00002549761,0.00004131075,0.00001570627,0.0004412173,0.0001056693,0.00000855452],"category_scores_gemma":[0.00003368859,0.0001663576,0.00009400178,0.0001034613,0.0002399837,0.000004493162,0.0002131952,0.0002218564,7.274053e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003110514,"about_ca_system_score_gemma":0.00006239835,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006956814,"about_ca_topic_score_gemma":0.000003870303,"domain_scores_codex":[0.9986971,0.00003932146,0.0002594637,0.0004210399,0.0002551967,0.000327903],"domain_scores_gemma":[0.9991301,0.0000250921,0.0001399624,0.0005932294,0.00003781797,0.00007381705],"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":[0.0002264067,0.00005040385,0.002789423,0.0001235596,0.0003005821,0.00002930147,0.0001323671,0.00000895934,0.9958193,0.000008175435,0.0003327247,0.0001787777],"study_design_scores_gemma":[0.0007648239,0.00004884012,0.00009074262,0.0002018695,0.0001183406,0.00007164098,0.000271886,0.00005747097,0.997671,0.00001460563,0.0005238206,0.0001649746],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9943265,0.0003472721,0.0001590161,0.00373223,0.0000635866,0.0001692328,0.0000057402,0.00002277751,0.001173589],"genre_scores_gemma":[0.9976037,0.00002513922,0.0002210441,0.001601739,0.0001618302,0.00002222509,0.00006663887,0.0000270086,0.0002706993],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00327712,"threshold_uncertainty_score":0.6783867,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007113989156707412,"score_gpt":0.2241315782314391,"score_spread":0.2170175890747317,"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."}}