{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001134489,0.000293391,0.0002348793,0.0001230179,0.0001467129,0.000184777,0.0002810482,0.0002321333,0.001798627],"category_scores_gemma":[0.0002872747,0.000108539,0.0001841744,0.0001475745,0.0002110315,0.0002521865,0.0002117218,0.0002665666,0.000210755],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001993372,"about_ca_system_score_gemma":0.0001550529,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007328256,"about_ca_topic_score_gemma":0.001373081,"domain_scores_codex":[0.9999516,0.00000670194,0.000002012126,0.00001198864,0.00001674637,0.00001093968],"domain_scores_gemma":[0.9998806,0.00005917308,0.00002403606,0.000009177671,0.00001532399,0.00001162878],"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":[0.000741786,0.0001502252,0.01134382,0.0005271327,0.000125947,0.0003690938,0.0001322036,0.2345904,0.7317066,0.00214051,0.0003096844,0.01786263],"study_design_scores_gemma":[0.00004006983,0.001278406,0.02271475,0.00003762959,0.000127427,0.0003372515,0.0003418773,0.4630879,0.5074256,0.002025173,0.00252609,0.00005789534],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969079,0.0002975961,0.001638174,0.00002063064,0.00000549974,0.00000597117,0.0001398768,0.00002162261,0.0009626898],"genre_scores_gemma":[0.9985976,0.000191025,0.0007797385,0.000009658133,0.000001155567,0.000009243741,0.0001728259,0.00001045449,0.0002283209],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001798627,"threshold_uncertainty_score":0.006017029,"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."}}