{"id":"W1996244516","doi":"10.1021/ja4088264","title":"DFT Computational Study of the Methanolytic Cleavage of DNA and RNA Phosphodiester Models Promoted by the Dinuclear Zn<sup>(II)</sup> Complex of 1,3-Bis(1,5,9-triazacyclododec-1-yl)propane","year":2013,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":35,"is_retracted":false,"has_abstract":true,"ca_institutions":"Queen's University","funders":"","keywords":"Phosphodiester bond; Chemistry; DNA; Cleavage (geology); RNA; Stereochemistry; Crystallography; Biochemistry; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004131893,0.000829249,0.001505245,0.0006146805,0.001194522,0.0007120038,0.001720727,0.001792882,0.005484333],"category_scores_gemma":[0.0008857281,0.0005504135,0.000852109,0.0006284285,0.0007083383,0.0004755297,0.000643096,0.001075341,0.000383298],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001534879,"about_ca_system_score_gemma":0.001895446,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.02130335,"about_ca_topic_score_gemma":0.02504522,"domain_scores_codex":[0.9998453,0.00004525691,0.000004280364,0.00001449229,0.00003819499,0.00005249919],"domain_scores_gemma":[0.9994075,0.0003793322,0.00002654492,0.00003089498,0.00009500627,0.00006073487],"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":[0.0004424343,0.0002730498,0.002883956,0.000402223,0.0001578121,0.0005674366,0.000114413,0.9747078,0.00281364,0.01113407,0.001907735,0.004595476],"study_design_scores_gemma":[0.0001007053,0.0001375393,0.0008949732,0.000026081,0.00003520215,0.00002402557,0.0001363048,0.9961856,0.0006139925,0.001273706,0.0005600212,0.00001184897],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9624228,0.0006921787,0.008492515,0.0008706085,0.00009893737,0.00009023465,0.001328053,0.0001449573,0.02585988],"genre_scores_gemma":[0.9911396,0.0003325737,0.004873112,0.0002593799,0.00002794395,0.0002509679,0.0008994933,0.00003836351,0.002178486],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02130335,"threshold_uncertainty_score":0.0423587,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01138221438061981,"score_gpt":0.2347902824382482,"score_spread":0.2234080680576284,"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."}}