{"id":"W2070947033","doi":"10.1016/j.jinorgbio.2005.08.009","title":"The mechanism of Compound I formation revisited","year":2005,"lang":"en","type":"article","venue":"Journal of Inorganic Biochemistry","topic":"Enzyme-mediated dye degradation","field":"Agricultural and Biological Sciences","cited_by":77,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Alberta","funders":"","keywords":"Chemistry; Imidazole; Deprotonation; Substrate (aquarium); Stereochemistry; Hydrogen bond; Histidine; Hydrogen peroxide; Intramolecular force; Active site; Peroxidase; Heme; Alkoxy group; Crystallography; Photochemistry; Enzyme; Molecule; Alkyl; Organic chemistry; Ion","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":[0.0003711242,0.00006158798,0.0001022821,0.00000599449,0.00008559899,0.00002721738,0.0002398948,0.00007668346,0.00007824421],"category_scores_gemma":[0.0001310927,0.00002005803,0.00006555206,0.000175332,0.00002805268,0.0001315676,0.00002375578,0.0001402878,0.000005856238],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004536634,"about_ca_system_score_gemma":0.00001326312,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000002454502,"about_ca_topic_score_gemma":0.000007702489,"domain_scores_codex":[0.9992102,0.00002684169,0.0003951073,0.00004966919,0.0002263634,0.00009185182],"domain_scores_gemma":[0.9990435,0.0001174086,0.00053338,0.00004261544,0.0002182608,0.00004488544],"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":[0.00001322581,0.00002342185,0.00005285475,0.000005324528,0.00001083748,6.236079e-7,0.00002030499,5.180843e-7,0.9899857,0.0001277783,0.001913623,0.007845791],"study_design_scores_gemma":[0.0001187151,0.00006223193,0.0009915071,0.00003331967,0.00001598417,0.00009174136,0.0002332644,0.00005117659,0.9947078,0.0002893747,0.003355938,0.00004895477],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9966385,0.0006663378,0.0000331636,0.002326957,0.00005373084,0.00003334781,0.000007017,0.000006613049,0.0002342966],"genre_scores_gemma":[0.9990082,0.0002793322,0.0001719745,0.00008093676,0.000376411,2.847067e-7,0.00001433777,5.305349e-7,0.00006797424],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007796837,"threshold_uncertainty_score":0.08567192,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008821694949125975,"score_gpt":0.2004109802981752,"score_spread":0.1915892853490492,"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."}}