{"id":"W2064526150","doi":"10.1016/j.cplett.2004.10.104","title":"The degenerate properties of modified purine and pyrimidine DNA bases: a density functional study","year":2004,"lang":"en","type":"article","venue":"Chemical Physics Letters","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":false,"ca_institutions":"Mount Allison University","funders":"Natural Sciences and Engineering Research Council of Canada; New Brunswick Innovation Foundation","keywords":"Pyrimidine; Purine; DNA; Degenerate energy levels; Chemistry; Density functional theory; Computational chemistry; Stereochemistry; Combinatorial chemistry; Biochemistry; Physics; Quantum mechanics; Enzyme","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":[0.00005579466,0.000127531,0.0001148988,0.000004219374,0.00008078544,0.00001559724,0.0001157573,0.00004341833,7.502993e-7],"category_scores_gemma":[0.00002724186,0.00009125652,0.0000545478,0.00004158821,0.0002321736,0.000003827492,0.0001279316,0.0000805538,8.799014e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001298009,"about_ca_system_score_gemma":0.000023945,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008816338,"about_ca_topic_score_gemma":0.000001064213,"domain_scores_codex":[0.9993516,0.00001105106,0.0001396817,0.000234104,0.0001159273,0.0001476022],"domain_scores_gemma":[0.9996018,0.000006286647,0.00005419109,0.0002387688,0.00004851,0.00005038298],"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":[0.0001296137,0.0001441752,0.0002787983,0.0000190271,0.00006276332,0.000001324729,0.00004009515,0.0001082627,0.9987404,0.00002790457,0.0002547567,0.0001928795],"study_design_scores_gemma":[0.0007100055,0.00004132193,0.000182106,0.000008195194,0.00002477106,0.000004282049,0.00006297348,0.0000141703,0.998661,0.00009876408,0.0000789035,0.0001135311],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9986309,0.0001146803,0.0005194022,0.0005150191,0.00004013859,0.0001082983,0.000003552633,0.000008502772,0.00005954458],"genre_scores_gemma":[0.9991704,0.00001450625,0.00005109219,0.0004039316,0.0002701195,0.00001543735,0.00003232245,0.00001346747,0.00002873321],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0005803917,"threshold_uncertainty_score":0.3721333,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01442589993458672,"score_gpt":0.1960001423470585,"score_spread":0.1815742424124717,"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."}}