{"id":"W2312946320","doi":"10.1021/tx500178x","title":"Complex Conformational Heterogeneity of the Highly Flexible O6-Benzyl-guanine DNA Adduct","year":2014,"lang":"en","type":"article","venue":"Chemical Research in Toxicology","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"","keywords":"Guanine; Adduct; DNA; Chemistry; DNA adduct; Stereochemistry; Combinatorial chemistry; Biochemistry; Organic chemistry; Nucleotide; Gene","routes":{"ca_aff":true,"ca_fund":false,"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":[0.000706823,0.0001231986,0.000200319,0.00004666339,0.00006540758,0.00001057153,0.0006553502,0.0002936931,0.0001252447],"category_scores_gemma":[0.0007179963,0.00009736054,0.00009221004,0.0002062797,0.0007329335,0.000004399092,0.0005839437,0.00033678,0.00001666075],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004686947,"about_ca_system_score_gemma":0.0001351095,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000912265,"about_ca_topic_score_gemma":0.00001144412,"domain_scores_codex":[0.9984193,0.0001696043,0.0003208984,0.0003027971,0.0003276222,0.0004598015],"domain_scores_gemma":[0.9990188,0.0001272617,0.00007424442,0.0004936927,0.0001678397,0.0001181268],"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":[0.0001041694,0.0001157374,0.001538763,0.00004607048,0.00001608712,6.082613e-7,0.00001202224,0.000009926521,0.9901661,0.001032102,0.006379896,0.0005784838],"study_design_scores_gemma":[0.0006086205,0.0001231897,0.002655008,0.00001230697,0.00000241428,0.00001372863,0.00001838808,0.000190306,0.9535919,0.0006031416,0.0420856,0.00009535691],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.987945,0.00006707883,0.00003383922,0.001158219,0.00006992177,0.0001471121,0.00002236019,0.000007489128,0.01054896],"genre_scores_gemma":[0.9987975,0.00002080785,0.0002172397,0.000342797,0.0001948011,0.00003057819,0.00009788787,0.00001319483,0.0002852345],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03657419,"threshold_uncertainty_score":0.3970248,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06875833072965107,"score_gpt":0.3638541930691308,"score_spread":0.2950958623394797,"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."}}