{"id":"W1971440208","doi":"10.1039/c1cc15344g","title":"Unexpected structure of a C. difficile toxin A ligand necessitates an annotation correction in a popular screening library","year":2011,"lang":"en","type":"article","venue":"Chemical Communications","topic":"Clostridium difficile and Clostridium perfringens research","field":"Medicine","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta; University of Calgary; Alberta Glycomics Centre","funders":"","keywords":"Fucosyltransferase; Chemistry; Stereochemistry; Tetrasaccharide; Moiety; Enzyme; Fucosylation; Glycomics; Ligand (biochemistry); Biochemistry; Combinatorial chemistry; Glycan; Fucose; Polysaccharide; Galactose","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":[0.0003528548,0.000669406,0.0007103352,0.000579131,0.0005583054,0.000718762,0.0003479369,0.0005080076,0.002187193],"category_scores_gemma":[0.0009959717,0.0002507083,0.0004588092,0.001058824,0.0001961692,0.0003076597,0.0003954257,0.0008163421,0.001487325],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004117906,"about_ca_system_score_gemma":0.0008603832,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001146654,"about_ca_topic_score_gemma":0.001931017,"domain_scores_codex":[0.9995079,0.00007459157,0.00003475274,0.0001084365,0.0002135686,0.00006071184],"domain_scores_gemma":[0.9994457,0.0001584239,0.00007780676,0.0001303332,0.0001082807,0.00007941055],"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":[0.0004326061,0.00007607564,0.001253347,0.0001052744,0.00001431746,0.0004436753,0.00005342365,0.0005032145,0.9718132,0.000194796,0.0003610069,0.02474907],"study_design_scores_gemma":[0.00004819766,0.001296619,0.01212724,0.00004244182,0.0001710923,0.002436697,0.0001473873,0.00333466,0.9528089,0.0003388922,0.02720593,0.00004199019],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9538891,0.001463502,0.03388324,0.0005420822,0.0001264409,0.0001606416,0.004470481,0.001359712,0.004104774],"genre_scores_gemma":[0.9239463,0.001398805,0.04631545,0.0003318745,0.00003570844,0.0001112831,0.01861088,0.0003258129,0.008923978],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002187193,"threshold_uncertainty_score":0.007316887,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05930892030348682,"score_gpt":0.3118076072503165,"score_spread":0.2524986869468296,"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."}}