{"id":"W4386647318","doi":"10.1016/j.comptc.2023.114323","title":"Does the dissociation of guaiacol family radical cations mimic their thermal decomposition?","year":2023,"lang":"en","type":"article","venue":"Computational and Theoretical Chemistry","topic":"Free Radicals and Antioxidants","field":"Chemistry","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Ottawa","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"Chemistry; Guaiacol; Dissociation (chemistry); Thermal decomposition; Photochemistry; Computational chemistry; Organic chemistry; Catalysis","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":[0.0001477251,0.0001243739,0.0001470469,0.00001372808,0.0002064303,0.00003238644,0.000174913,0.0001021907,0.0005560032],"category_scores_gemma":[0.0000805922,0.00006668811,0.00008865892,0.0001440137,0.0008672469,0.00004132047,0.00007056948,0.0001635345,0.00001138465],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001818958,"about_ca_system_score_gemma":0.00004469834,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001943995,"about_ca_topic_score_gemma":1.663675e-7,"domain_scores_codex":[0.9991053,0.00002354924,0.0002576133,0.0002000526,0.0002383653,0.0001750597],"domain_scores_gemma":[0.9989712,0.0006659732,0.00008027107,0.0001297393,0.00007024049,0.00008263908],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"theoretical_or_conceptual","study_design_scores_codex":[0.00008108815,0.0003161919,0.003885364,0.0004592971,0.0001699632,0.000008567058,0.0005572459,0.001482233,0.6456317,0.3357473,0.0006981051,0.01096298],"study_design_scores_gemma":[0.001285015,0.00002177487,0.04241119,0.0002451738,0.00009887119,0.00002772777,0.0008675023,0.1009542,0.1861166,0.6661013,0.001369858,0.0005008082],"study_design_candidate":"theoretical_or_conceptual","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9919426,0.0001655335,0.0004611096,0.00205011,0.00003892871,0.0000469103,0.0001455521,0.00007614011,0.005073116],"genre_scores_gemma":[0.9991659,0.00005978563,0.0001176685,0.00008334798,0.0001730496,0.00001949165,0.0002155355,0.00001276992,0.0001524515],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.4595151,"threshold_uncertainty_score":0.6087846,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.005390382417213475,"score_gpt":0.2390360748437809,"score_spread":0.2336456924265674,"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."}}