{"id":"W4388832607","doi":"10.26434/chemrxiv-2023-0gdp5-v2","title":"Bioisosteres at C9 of 2,3-didehydro-5-N-acetyl neuraminic acid identify selective inhibitors of NEU3","year":2023,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Carbohydrate Chemistry and Synthesis","field":"Chemistry","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Canadian Glycomics Network; Natural Sciences and Engineering Research Council of Canada; University of Alberta","keywords":"Chemistry; Stereochemistry; Amide; Sialidase; Sialic acid; Sulfonamide; Neuraminidase; Neuraminic acid; Nitrilase; Biochemistry; Combinatorial chemistry; Enzyme","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":[0.0002022551,0.0005640558,0.0004006264,0.0003018956,0.0001201173,0.0002442931,0.0003350188,0.0003489828,0.001347865],"category_scores_gemma":[0.0001681011,0.0002109424,0.0003445156,0.0002653191,0.000203057,0.000219914,0.0002090568,0.0006009555,0.0005302037],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004463632,"about_ca_system_score_gemma":0.000300828,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009894854,"about_ca_topic_score_gemma":0.001802702,"domain_scores_codex":[0.9998358,0.0000176142,0.00001269867,0.00003120398,0.0000496706,0.00005280892],"domain_scores_gemma":[0.9999145,0.00001180463,0.00001474675,0.0000115253,0.00002038225,0.00002691366],"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":[0.0001965048,0.0001272881,0.0002612383,0.00006097226,0.00001321809,0.00009870467,0.00001758347,0.0004947745,0.9923504,0.0001940881,0.0001232286,0.006061906],"study_design_scores_gemma":[0.0001230878,0.002144607,0.002127906,0.0000152337,0.00004398127,0.0003266234,0.00001896696,0.001136605,0.9877204,0.00005681924,0.006272871,0.00001287699],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9811713,0.00516529,0.005636461,0.0001994398,0.0000656405,0.0002639448,0.001122148,0.000164322,0.006211526],"genre_scores_gemma":[0.9864407,0.002515763,0.005558911,0.0001389529,0.00001355206,0.00009720014,0.001691003,0.00002707178,0.00351684],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001347865,"threshold_uncertainty_score":0.004509091,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.037266070955393,"score_gpt":0.2769155594277645,"score_spread":0.2396494884723715,"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."}}