{"id":"W1985927252","doi":"10.1021/ja0173627","title":"Substituent Effects in Carbon−Nitrogen Cleavage of Thiamin Derivatives. Fragmentation Pathways and Enzymic Avoidance of Cofactor Destruction","year":2002,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Alcoholism and Thiamine Deficiency","field":"Medicine","cited_by":15,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Toronto","funders":"","keywords":"Chemistry; Substituent; Fragmentation (computing); Stereochemistry; Benzaldehyde; Cleavage (geology); Bond cleavage; Sigmatropic reaction; Cofactor; Catalysis; Enzyme; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002294999,0.0002127201,0.0001301179,0.0001328732,0.0001120356,0.0001994229,0.0001916302,0.0002440661,0.0007629475],"category_scores_gemma":[0.0005279527,0.0001462248,0.000133934,0.00009708559,0.0002268432,0.0002170079,0.0001029137,0.0002097831,0.0001431128],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002519462,"about_ca_system_score_gemma":0.0001612805,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001485714,"about_ca_topic_score_gemma":0.002171756,"domain_scores_codex":[0.9998703,0.00004102637,0.00001144717,0.00002281085,0.00002840792,0.00002598939],"domain_scores_gemma":[0.999754,0.0000789791,0.00008276133,0.00002519586,0.00002910548,0.00003007949],"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":[0.0003508019,0.00001739259,0.0009169774,0.00003664485,0.000007046171,0.0001123935,0.00002466237,0.0001809261,0.9965437,0.00006445284,0.00001107325,0.001733888],"study_design_scores_gemma":[0.00001104122,0.0004228576,0.005755798,0.000004950108,0.00001181581,0.0002977218,0.0000203107,0.0006923105,0.9924304,0.00003433157,0.0003146186,0.000003960811],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9979863,0.0009616463,0.0004448704,0.00002020876,0.000003083159,0.000006943349,0.00004001833,0.000007397397,0.0005294553],"genre_scores_gemma":[0.9986008,0.0004168551,0.0005610429,0.000008778275,0.000001143364,0.000003453509,0.0000661378,0.000003739704,0.0003380038],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001485714,"threshold_uncertainty_score":0.002954125,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01361744684690101,"score_gpt":0.2397778013487074,"score_spread":0.2261603545018064,"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."}}