{"id":"W2023247727","doi":"10.1021/ja9086374","title":"Cyclobutanone Analogues of β-Lactams Revisited: Insights into Conformational Requirements for Inhibition of Serine- and Metallo-β-Lactamases","year":2010,"lang":"en","type":"article","venue":"Journal of the American Chemical Society","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":51,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo; University of British Columbia","funders":"Canadian Institutes of Health Research; Howard Hughes Medical Institute","keywords":"Chemistry; Cyclobutanone; Serine; Stereochemistry; Carboxylate; Stenotrophomonas maltophilia; Enzyme; Meropenem; Active site; Hydrolase; Antibiotics; Biochemistry; Antibiotic resistance; Pseudomonas aeruginosa; Bacteria; Organic chemistry","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":[0.0001815655,0.0003943436,0.0003923418,0.0001015055,0.0001120141,0.0004683223,0.0003274491,0.0003230972,0.00204625],"category_scores_gemma":[0.000173077,0.0002142494,0.0001683091,0.000107502,0.0003005722,0.0007010765,0.0001608297,0.0007910256,0.0003466379],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005251937,"about_ca_system_score_gemma":0.0002155988,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004982224,"about_ca_topic_score_gemma":0.0009198954,"domain_scores_codex":[0.9999293,0.0000140036,0.000004681103,0.0000121086,0.00002053987,0.00001937882],"domain_scores_gemma":[0.999939,0.0000268719,0.00001424856,0.00000432364,0.000005745103,0.000009794369],"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":[0.0004843372,0.0001146612,0.0003410043,0.0003527243,0.0000154905,0.0004651303,0.00008087598,0.0032382,0.9782908,0.003610885,0.0001652421,0.01284065],"study_design_scores_gemma":[0.0002419131,0.002673219,0.003625538,0.00009031118,0.00006253878,0.001649271,0.0001960087,0.007181678,0.9576746,0.002525472,0.02403732,0.00004204168],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9326416,0.05181875,0.004993732,0.0008007206,0.00006479753,0.00006730896,0.0001539904,0.00006422084,0.009394831],"genre_scores_gemma":[0.9671944,0.02810725,0.002306758,0.0001750494,0.0000315074,0.00003358901,0.0001709354,0.00001606557,0.001964486],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00204625,"threshold_uncertainty_score":0.006845415,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008224960278161341,"score_gpt":0.263328274865992,"score_spread":0.2551033145878306,"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."}}