{"id":"W2047879140","doi":"10.1021/ja0724442","title":"Synthesis of Structural Analogues of the Oxidized Sites in the Xanthine Oxidoreductase Enzyme Family","year":2007,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Metalloenzymes and iron-sulfur proteins","field":"Energy","cited_by":34,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"","keywords":"Chemistry; Protonation; Oxidoreductase; Square pyramidal molecular geometry; Stereochemistry; Ligand (biochemistry); Crystallography; Trigonal bipyramidal molecular geometry; Crystal structure; Enzyme; Biochemistry; 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":[0.0001024642,0.0001627803,0.000225088,0.0001062145,0.0001154848,0.0002004096,0.0004752834,0.0001997752,0.002118171],"category_scores_gemma":[0.0002215984,0.0001579126,0.0001734026,0.0001876659,0.0001356225,0.0001708519,0.0002178365,0.0004837372,0.0003842814],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002264078,"about_ca_system_score_gemma":0.0001655449,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002313672,"about_ca_topic_score_gemma":0.0004174902,"domain_scores_codex":[0.9999303,0.00001472925,0.000006686941,0.00001508762,0.00001901642,0.00001415465],"domain_scores_gemma":[0.9999034,0.00001166124,0.00002318779,0.00001736882,0.0000153989,0.00002893601],"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":[0.0004422301,0.0001088182,0.0003516927,0.0001800764,0.00003216797,0.0001629184,0.00008343163,0.00123287,0.9865494,0.003064007,0.0002482821,0.007544115],"study_design_scores_gemma":[0.000299478,0.001881264,0.003004369,0.00002075305,0.00007255611,0.0006467158,0.00006576721,0.002829914,0.9635731,0.0006661454,0.02690895,0.00003094113],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.990953,0.0005013198,0.004802146,0.0000566453,0.00003996818,0.00005947767,0.0002734486,0.0000613911,0.003252722],"genre_scores_gemma":[0.9878976,0.0004868164,0.006972865,0.00003055417,0.000009757749,0.00005550456,0.0008028314,0.00003126485,0.003712856],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002118171,"threshold_uncertainty_score":0.007085979,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01364366639457866,"score_gpt":0.2519385201976902,"score_spread":0.2382948538031115,"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."}}