{"id":"W4211065911","doi":"10.1021/acs.chemrestox.1c00405","title":"Effects of a Second Local DNA Damage Event on the Toxicity of the Human Carcinogen 4-Aminobiphenyl: A Molecular Dynamics Study of a Damaged DNA Structure","year":2022,"lang":"en","type":"article","venue":"Chemical Research in Toxicology","topic":"Carcinogens and Genotoxicity Assessment","field":"Biochemistry, Genetics and Molecular Biology","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Foundation for Innovation; Alberta Innovates - Technology Futures; University of Lethbridge","keywords":"DNA; Carcinogen; Chemistry; Adduct; DNA adduct; DNA damage; Stereochemistry; Biochemistry; Biophysics; Biology; Organic chemistry","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":[0.001104999,0.0001944114,0.0004019272,0.0001321695,0.000158435,0.000006024741,0.001080672,0.0001869683,0.000102551],"category_scores_gemma":[0.0003197433,0.0001415156,0.000176348,0.0005330757,0.000698394,0.000002236949,0.001813026,0.0008598316,1.620662e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002859938,"about_ca_system_score_gemma":0.0003162698,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00009783765,"about_ca_topic_score_gemma":0.000747752,"domain_scores_codex":[0.9962407,0.001554029,0.000488971,0.0004822032,0.0007685933,0.0004655093],"domain_scores_gemma":[0.9983341,0.0003460597,0.0001936731,0.0008861965,0.0001588365,0.00008111737],"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":[0.0002623046,0.001688874,0.002864125,0.0001562074,0.0001094189,0.00002483782,0.0005072538,0.0003491651,0.9930699,0.0007022707,0.0001012601,0.0001643689],"study_design_scores_gemma":[0.001332124,0.002543644,0.02181191,0.00001721484,0.00002189991,0.000006144283,0.001730856,0.0002031727,0.9716603,0.000507072,0.00004916411,0.0001164622],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9978125,0.00008740588,0.0000178344,0.0002239231,0.00005387501,0.001512452,0.00014009,0.000002385898,0.0001495029],"genre_scores_gemma":[0.9995521,0.00000226515,0.00001175368,0.0001097858,0.0000238451,0.000192157,0.0000326373,0.0000236886,0.00005178895],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02140958,"threshold_uncertainty_score":0.5770839,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01919568226991605,"score_gpt":0.3230653660278112,"score_spread":0.3038696837578951,"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."}}