{"id":"W6903239837","doi":"10.1021/jp810715t.s001","title":"A DFT Study of Nucleobase Dealkylation by the DNA Repair Enzyme AlkB","year":2016,"lang":"en","type":"article","venue":"Figshare","topic":"Metal-Catalyzed Oxygenation Mechanisms","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Windsor","funders":"","keywords":"AlkB; Nucleobase; Alkylation; DNA; Density functional theory; Radical; DNA repair; Enzyme","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002564894,0.0005869069,0.001001358,0.0003785863,0.0007505549,0.0006277975,0.001164013,0.001379726,0.005314246],"category_scores_gemma":[0.0005227415,0.000349413,0.0005483096,0.0004382185,0.0005735742,0.0005832871,0.0006227902,0.0008369739,0.0003817714],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007824953,"about_ca_system_score_gemma":0.0008122834,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.01102926,"about_ca_topic_score_gemma":0.008731737,"domain_scores_codex":[0.9998903,0.00002608504,0.000003080457,0.00001088499,0.00003293136,0.00003672575],"domain_scores_gemma":[0.9997554,0.0001362867,0.00001183218,0.00001957268,0.0000521106,0.00002487145],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0005932426,0.00041126,0.004138824,0.001065569,0.0001813577,0.002029918,0.0003154124,0.903627,0.02213534,0.04930978,0.004964512,0.01122776],"study_design_scores_gemma":[0.00005500989,0.0001003736,0.0008328039,0.00001805146,0.00001411077,0.00002857492,0.00008811337,0.9954796,0.0009689056,0.001875543,0.0005298624,0.000009126825],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9506941,0.001403574,0.01156011,0.001065105,0.0001318919,0.00006807112,0.0007318167,0.0001322424,0.03421308],"genre_scores_gemma":[0.9943804,0.0003948967,0.002630429,0.0001216928,0.00002699799,0.00007521733,0.00033079,0.0000324514,0.002007139],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01102926,"threshold_uncertainty_score":0.0219301,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03186081040446802,"score_gpt":0.2532887672915516,"score_spread":0.2214279568870836,"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."}}