{"id":"W2738155633","doi":"10.1021/acs.chemrestox.7b00103","title":"Molecular Modeling of the Major DNA Adduct Formed from Food Mutagen Ochratoxin A in <i>Nar</i>I Two-Base Deletion Duplexes: Impact of Sequence Context and Adduct Ionization on Conformational Preference and Mutagenicity","year":2017,"lang":"en","type":"article","venue":"Chemical Research in Toxicology","topic":"Carcinogens and Genotoxicity Assessment","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge; University of Guelph","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; University Grants Commission; Department of Science and Technology, Ministry of Science and Technology, India; Canada Foundation for Innovation","keywords":"Adduct; Mutagen; Context (archaeology); Chemistry; Ochratoxin A; DNA; DNA adduct; Sequence (biology); Base pair; Stereochemistry; Genetics; Biochemistry; Biology; Mycotoxin; Organic chemistry; Food science","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":[0.0005596045,0.0001279735,0.0002260647,0.00008571005,0.0000866734,0.00002624209,0.0002961158,0.0001947906,0.0000120682],"category_scores_gemma":[0.0007934063,0.0001037938,0.00006131904,0.00009432864,0.0004653009,0.00001714197,0.0003452516,0.0002530876,2.786525e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009713676,"about_ca_system_score_gemma":0.0003125668,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000550093,"about_ca_topic_score_gemma":0.0005864426,"domain_scores_codex":[0.9986255,0.0001779247,0.0003330189,0.0003285703,0.000255507,0.0002795265],"domain_scores_gemma":[0.9990796,0.0001003364,0.0001451581,0.0004027662,0.0001887236,0.00008344484],"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":[0.0003621195,0.0001021507,0.004135646,0.00003894966,0.00003177585,0.000002602915,0.000115878,0.001004631,0.9929953,0.0003688565,0.000007662592,0.0008343812],"study_design_scores_gemma":[0.001493848,0.0004898002,0.007754014,0.00007850295,0.000006598682,0.000006741843,0.0001168645,0.0199592,0.968617,0.001374946,0.000002681996,0.00009981012],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.998547,0.0002511521,0.000248665,0.0002072944,0.0000167376,0.0004719379,0.0001836561,0.000001619141,0.00007199472],"genre_scores_gemma":[0.9995705,0.00008020722,0.0001312407,0.00004972061,0.00002174902,0.00004889249,0.00008689488,0.00000872183,0.000002071531],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02437835,"threshold_uncertainty_score":0.4232588,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1004262043685979,"score_gpt":0.3827361021523695,"score_spread":0.2823098977837716,"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."}}