{"id":"W4394675542","doi":"10.1021/acs.jmedchem.4c00037","title":"Potentiating Activity of GmhA Inhibitors on Gram-Negative Bacteria","year":2024,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Enzyme Structure and Function","field":"Materials Science","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Western University","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Escherichia coli; Biochemistry; Enzyme; Antimicrobial; Active site; Enterobacteriaceae; Cytotoxicity; Ribose; Bacteria; Moiety; Stereochemistry; In vitro; Organic chemistry; Biology","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":[0.00008771746,0.0003665029,0.0002299073,0.0002130234,0.00007098975,0.0001267755,0.0001484926,0.0001471349,0.00130859],"category_scores_gemma":[0.0001156662,0.0001117669,0.0001050981,0.0001245165,0.00009507868,0.00009181747,0.0001514687,0.0002353301,0.0002886031],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001113514,"about_ca_system_score_gemma":0.0001038814,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003173423,"about_ca_topic_score_gemma":0.0005485681,"domain_scores_codex":[0.9999361,0.00001488644,0.000005311721,0.00001004111,0.00001856591,0.00001503542],"domain_scores_gemma":[0.9999542,0.00001247094,0.000009845802,0.000004749482,0.00000697404,0.00001157742],"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":[0.0001805138,0.00004097277,0.00007119949,0.00006113344,0.000005016774,0.00002528227,0.000007657156,0.0001857643,0.9950334,0.00003908635,0.00006984161,0.004280127],"study_design_scores_gemma":[0.00001932312,0.000765641,0.0008995588,0.000006160791,0.00001026106,0.00007372309,0.000004886907,0.0005290469,0.9958825,0.0000143575,0.001791544,0.000003007746],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9881365,0.004674972,0.001924492,0.0001125156,0.00004010581,0.00005840612,0.0003523905,0.0001155524,0.004585199],"genre_scores_gemma":[0.9892942,0.003505399,0.003629832,0.00006489495,0.00001998994,0.00004332577,0.0005252397,0.00001837561,0.002898816],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00130859,"threshold_uncertainty_score":0.004377663,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00832716678864897,"score_gpt":0.2495277893707464,"score_spread":0.2412006225820974,"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."}}