{"id":"W4237876842","doi":"10.1002/ange.201309675","title":"Tuning Mechanism‐Based Inactivators of Neuraminidases: Mechanistic and Structural Insights","year":2014,"lang":"en","type":"article","venue":"Angewandte Chemie","topic":"Glycosylation and Glycoproteins Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"","keywords":"Chemistry; Epimer; Active site; Anomer; Ground state; Covalent bond; Adduct; Stereochemistry; Hydrolysis; Reagent; Fluorine; Enzyme; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004591269,0.0004426826,0.0002560123,0.0001481176,0.0001756407,0.0005058494,0.0005247394,0.0003980827,0.001306082],"category_scores_gemma":[0.000220655,0.0002110313,0.0003126033,0.00006931392,0.0003899292,0.0005734403,0.0002125922,0.0006165894,0.000238216],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004914946,"about_ca_system_score_gemma":0.0002127908,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003725762,"about_ca_topic_score_gemma":0.0004354963,"domain_scores_codex":[0.9999021,0.00001484069,0.000006698964,0.00001495948,0.00002960763,0.00003176965],"domain_scores_gemma":[0.999926,0.00002578909,0.0000201316,0.00001060813,0.00001108073,0.000006360817],"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":[0.0002826092,0.0001916092,0.0006650649,0.0002245366,0.0000347747,0.0001847502,0.00006983856,0.004717784,0.9781236,0.00694972,0.0001859309,0.008369802],"study_design_scores_gemma":[0.0000501108,0.0005022857,0.0009645981,0.00001769688,0.00002684732,0.0002479516,0.00006269604,0.0118462,0.9820655,0.001835766,0.002365395,0.00001495603],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9808903,0.002381654,0.01225549,0.0002445228,0.0000348567,0.00006720958,0.0001693392,0.0001212966,0.003835293],"genre_scores_gemma":[0.9961151,0.001127537,0.002157476,0.00003437475,0.000004055419,0.00002021107,0.00005875173,0.0000128416,0.0004696126],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001306082,"threshold_uncertainty_score":0.004369318,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0116207874155663,"score_gpt":0.2524084212985633,"score_spread":0.240787633882997,"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."}}