{"id":"W4385728522","doi":"10.1016/j.comptc.2023.114280","title":"Further revealing reaction mechanism on the oxidation behavior of the vanillyl alcohol","year":2023,"lang":"en","type":"article","venue":"Computational and Theoretical Chemistry","topic":"Lignin and Wood Chemistry","field":"Engineering","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Calgary","funders":"China Scholarship Council","keywords":"Chemistry; Alcohol; Reaction mechanism; Catalysis; Hydroxymethyl; Alcohol oxidation; Computational chemistry; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001127705,0.00007995452,0.00006397652,0.000006939629,0.0000616709,0.00001224334,0.00009334689,0.00006263394,0.00004330102],"category_scores_gemma":[0.00003448677,0.00004967176,0.00004020425,0.0001084587,0.0001237683,0.00001547694,0.00003244578,0.0001291953,0.000009285623],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001404448,"about_ca_system_score_gemma":0.000007640922,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":3.000537e-7,"about_ca_topic_score_gemma":2.1852e-8,"domain_scores_codex":[0.9995166,0.00001028879,0.0001219277,0.00009613835,0.0001668627,0.00008817366],"domain_scores_gemma":[0.9996319,0.0001754098,0.0000245677,0.0001099428,0.00002964335,0.00002847935],"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":[0.000003689046,0.00001576202,0.00005493816,0.00006746995,0.00001944736,0.000001110062,0.00009852931,0.001008515,0.8277765,0.1702616,0.0004615114,0.0002309551],"study_design_scores_gemma":[0.0001112424,0.000003724223,0.0004611227,0.00003952767,0.00001703286,0.000007885472,0.00008019169,0.01119619,0.875001,0.11298,0.00002914114,0.00007297779],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9944972,0.00001014774,0.000141461,0.0005706969,0.00006959786,0.0000642211,0.00001111883,0.00008396924,0.004551527],"genre_scores_gemma":[0.9996933,0.000006669864,0.00004083086,0.00005517008,0.00007411786,0.00001618125,0.00002497572,0.00001198362,0.0000767973],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05728157,"threshold_uncertainty_score":0.2025556,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00956474902251246,"score_gpt":0.2123476317901598,"score_spread":0.2027828827676474,"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."}}