{"id":"W4252021514","doi":"10.1002/cphc.201900484","title":"Can Cyanuric Acid and 2,4,6‐Triaminopyrimidine Containing Ribonucleosides be Components of Prebiotic RNA? Insights from QM Calculations and MD Simulations","year":2019,"lang":"en","type":"article","venue":"ChemPhysChem","topic":"RNA and protein synthesis mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Lethbridge","funders":"Natural Sciences and Engineering Research Council of Canada; Department of Science and Technology, Ministry of Science and Technology, India; University of Lethbridge","keywords":"Cyanuric acid; Prebiotic; Nucleobase; Chemistry; RNA; Computational chemistry; Stereochemistry; Computational biology; Biology; Organic chemistry; DNA; Biochemistry; Melamine","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":false,"about_ca":true,"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":[0.0004506619,0.0005532787,0.0006485157,0.0002120794,0.0006874632,0.001176588,0.00109502,0.00137678,0.005717617],"category_scores_gemma":[0.0009674693,0.0004576504,0.0004163502,0.0002030899,0.0008403134,0.001902569,0.0005440831,0.00122924,0.0009237903],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007325665,"about_ca_system_score_gemma":0.0008393223,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003229392,"about_ca_topic_score_gemma":0.003491178,"domain_scores_codex":[0.9999179,0.00001860159,0.000002881827,0.00001432075,0.00002368401,0.00002262269],"domain_scores_gemma":[0.9997568,0.0001507782,0.00002485939,0.00001649266,0.00001819189,0.00003285817],"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":[0.0006464799,0.0001825875,0.003453086,0.001194287,0.0001251583,0.001551126,0.0007516023,0.7333865,0.06448076,0.1684183,0.003952654,0.02185737],"study_design_scores_gemma":[0.0001225265,0.0001404498,0.0009585807,0.00007922086,0.00004987285,0.00008864856,0.0003235844,0.9440336,0.01042491,0.0394611,0.004273742,0.00004372964],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8479081,0.006632999,0.09461409,0.005060521,0.0004914968,0.0001426975,0.0005636729,0.0005049282,0.04408141],"genre_scores_gemma":[0.9800076,0.003301953,0.01152139,0.0003353983,0.00005971625,0.0001002226,0.0002154727,0.0001626806,0.004295652],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.005717617,"threshold_uncertainty_score":0.01912731,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01790203832243104,"score_gpt":0.2343007825710455,"score_spread":0.2163987442486144,"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."}}