{"id":"W4401334731","doi":"10.1021/acs.jmedchem.3c02186","title":"Bioisosteres at C9 of 2-Deoxy-2,3-didehydro- <i>N</i> -acetyl Neuraminic Acid Identify Selective Inhibitors of NEU3","year":2024,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"ATP Synthase and ATPases Research","field":"Biochemistry, Genetics and Molecular Biology","cited_by":7,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"National Heart, Lung, and Blood Institute; Canadian Glycomics Network; National Institute of General Medical Sciences; Natural Sciences and Engineering Research Council of Canada; National Institutes of Health","keywords":"Neuraminic acid; Chemistry; Stereochemistry; Biochemistry; Sialic acid","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0002261392,0.0005915288,0.0004210626,0.0003072544,0.0001242258,0.0002624287,0.0003574934,0.000379125,0.00124598],"category_scores_gemma":[0.000220971,0.0002382442,0.0003233921,0.0003142785,0.0002377277,0.0002558285,0.0002394039,0.0005955307,0.0004761658],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004560535,"about_ca_system_score_gemma":0.0002735586,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0006404851,"about_ca_topic_score_gemma":0.001452514,"domain_scores_codex":[0.9998459,0.00002138806,0.00001512446,0.00003458694,0.00003676238,0.00004625416],"domain_scores_gemma":[0.9998859,0.00002213134,0.00002569021,0.0000168128,0.00002074855,0.00002868083],"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":[0.0001787877,0.00008662113,0.0002397798,0.0000656585,0.00001057215,0.00009418259,0.0000216294,0.0004095183,0.9932045,0.0001767769,0.00005648895,0.0054555],"study_design_scores_gemma":[0.00006451421,0.001584132,0.001397085,0.00001183115,0.00003235217,0.000256205,0.0000152814,0.0004850641,0.9930165,0.00004332693,0.003084382,0.000009378938],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9832978,0.004641541,0.006339073,0.0001245721,0.00004029392,0.000209372,0.0007515515,0.0001060389,0.004489746],"genre_scores_gemma":[0.9870316,0.00277757,0.006244645,0.00009999548,0.00001202915,0.00008945287,0.001197342,0.00002221197,0.002525224],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00124598,"threshold_uncertainty_score":0.004168212,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01144073207802731,"score_gpt":0.3134476484747621,"score_spread":0.3020069163967348,"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."}}