{"id":"W2316508259","doi":"10.1021/tx500527p","title":"Influence of the Linkage Type and Functional Groups in the Carcinogenic Moiety on the Conformational Preferences of Damaged DNA: Structural and Energetic Characterization of Carbon- and Oxygen-Linked C<sup>8</sup>-Phenolic-Guanine Adducts","year":2015,"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 Guelph; University of Lethbridge","funders":"Natural Sciences and Engineering Research Council of Canada; Canada Research Chairs; Canada Foundation for Innovation","keywords":"Moiety; Chemistry; DNA; Carcinogen; Oxygen; Linkage (software); Characterization (materials science); Stereochemistry; DNA damage; Biochemistry; Organic chemistry; Gene; Nanotechnology; Materials 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":[0.0005305773,0.000080192,0.0001306206,0.00003189653,0.00002821386,0.000005794571,0.0001954982,0.0001899155,0.000004688227],"category_scores_gemma":[0.0007360007,0.00004622773,0.00001324643,0.0001700575,0.0007463197,0.00000683615,0.0002086597,0.0002893487,6.903567e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001445299,"about_ca_system_score_gemma":0.0001342455,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002357978,"about_ca_topic_score_gemma":0.000008626379,"domain_scores_codex":[0.9990669,0.000174012,0.0002257522,0.0001586727,0.0002247492,0.0001498602],"domain_scores_gemma":[0.9993318,0.0001722834,0.00007897359,0.0001808426,0.0001953821,0.00004066199],"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":[0.0001879505,0.00002599009,0.01485159,0.00005016591,0.00001146493,2.803252e-7,0.0005041991,0.00004889299,0.9838979,0.0003256035,0.00001549263,0.0000804689],"study_design_scores_gemma":[0.0005316152,0.000185083,0.1977748,0.00002355237,0.000004943383,0.00001055391,0.0004395666,0.0006574806,0.7998123,0.0004759225,0.00003340744,0.00005075752],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9990994,0.0001474346,2.500242e-7,0.000447015,0.00001158543,0.0001592198,0.00001554223,8.640303e-7,0.0001186924],"genre_scores_gemma":[0.9997203,0.00009826131,0.000008650167,0.00006359769,0.00003547079,0.00001366179,0.00004481169,0.000004045819,0.00001120105],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1840856,"threshold_uncertainty_score":0.2749846,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04524619912290345,"score_gpt":0.2890724325633944,"score_spread":0.2438262334404909,"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."}}