{"id":"W2036008692","doi":"10.1021/jp205724k","title":"Theoretical Study of Pyridoxine (Vitamin B6) Photolysis","year":2011,"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":13,"is_retracted":false,"has_abstract":true,"ca_institutions":"Cape Breton University","funders":"Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Cape Breton University; National University of Ireland","keywords":"Chemistry; Photodissociation; Pyridoxine; Photochemistry; Excited state; Substituent; Ring (chemistry); Density functional theory; Computational chemistry; Dehydrogenation; Stereochemistry; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002820677,0.0004565128,0.0008511133,0.0005820023,0.0007312204,0.0006104314,0.001070408,0.001115696,0.004805753],"category_scores_gemma":[0.0005147022,0.0002711825,0.0006945871,0.0005549148,0.0007493675,0.0005075429,0.00050175,0.0004759149,0.0003302154],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0008745806,"about_ca_system_score_gemma":0.001052958,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.009021332,"about_ca_topic_score_gemma":0.00478011,"domain_scores_codex":[0.9998815,0.00002640507,0.000003297804,0.00001247789,0.00003615319,0.00004015747],"domain_scores_gemma":[0.999792,0.0001204625,0.00001493215,0.00001521955,0.00003926676,0.00001818851],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00007907278,0.00006398832,0.0009999136,0.0002991091,0.00003936256,0.0004224869,0.00009010076,0.9346331,0.00296588,0.05602263,0.0007017055,0.003682546],"study_design_scores_gemma":[0.00002783723,0.00002626092,0.0003614072,0.00001376683,0.00001112573,0.00003393237,0.00004285356,0.993597,0.0004382117,0.004992692,0.0004473048,0.000007595468],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8081546,0.002246166,0.08514914,0.001161475,0.0001510237,0.0001666876,0.001302975,0.0002276438,0.1014403],"genre_scores_gemma":[0.9857584,0.0005780824,0.008151025,0.0001389545,0.00001932595,0.0001795109,0.0002864315,0.00004528073,0.004843052],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.009021332,"threshold_uncertainty_score":0.01793766,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007768960646079605,"score_gpt":0.2269834205988147,"score_spread":0.2192144599527351,"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."}}