{"id":"W2762031286","doi":"10.1021/acs.jpca.7b08334","title":"Mechanism Underlying the Nucleobase-Distinguishing Ability of Benzopyridopyrimidine (BPP)","year":2017,"lang":"en","type":"article","venue":"The Journal of Physical Chemistry A","topic":"DNA and Nucleic Acid Chemistry","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"Deutsche Forschungsgemeinschaft; Max-Planck-Gesellschaft; Francis Crick Institute","keywords":"Nucleobase; Guanine; Chemistry; Base pair; Hydrogen bond; Stereochemistry; Purine; DNA; Molecule; Biochemistry; Nucleotide; Enzyme; 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":[0.0001198686,0.0002444779,0.0002591666,0.0001094186,0.0003580903,0.0002804892,0.0004725145,0.0004676551,0.002048066],"category_scores_gemma":[0.0002607954,0.0001890931,0.000312654,0.00007516616,0.0005089884,0.0006079209,0.000293381,0.0004041841,0.0003407195],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003017678,"about_ca_system_score_gemma":0.0003389916,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008515425,"about_ca_topic_score_gemma":0.0004280858,"domain_scores_codex":[0.9999453,0.000005028795,0.000001522418,0.00001326275,0.00001465187,0.00002022461],"domain_scores_gemma":[0.9999446,0.00002233854,0.0000100864,0.000004673351,0.000006823825,0.00001151465],"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":[0.0002818633,0.0001707053,0.002490936,0.0006166942,0.00005759223,0.001117076,0.0003223029,0.04050787,0.9058536,0.03595546,0.0006592427,0.01196677],"study_design_scores_gemma":[0.0001888421,0.0006569349,0.006497924,0.0000376966,0.00006844726,0.001203162,0.0001829481,0.3376626,0.6354042,0.01351855,0.004491012,0.00008775829],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.969619,0.001156894,0.02192439,0.0003595752,0.00007824673,0.00008659571,0.0001037844,0.0001880573,0.006483437],"genre_scores_gemma":[0.9974261,0.000381119,0.001441847,0.00002978481,0.000004501652,0.00002437337,0.00003582972,0.00001049732,0.0006459109],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002048066,"threshold_uncertainty_score":0.006851494,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02356794005856397,"score_gpt":0.2899806650271013,"score_spread":0.2664127249685373,"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."}}