{"id":"W3128384845","doi":"10.1016/j.ejmech.2021.113257","title":"Faropenem reacts with serine and metallo-β-lactamases to give multiple products","year":2021,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Antibiotic Resistance in Bacteria","field":"Biochemistry, Genetics and Molecular Biology","cited_by":25,"is_retracted":false,"has_abstract":false,"ca_institutions":"Queen's University","funders":"National Institute of Allergy and Infectious Diseases; Biotechnology and Biological Sciences Research Council; Engineering and Physical Sciences Research Council; Cancer Research UK; National Institutes of Health; Medical Research Council; Diamond Light Source; Wellcome Trust","keywords":"Chemistry; Imine; Stereochemistry; Ring (chemistry); Carbapenem; Serine hydrolase; Tetrahydrofuran; Beta-Lactamase Inhibitors; Enamine; Hydrolysis; Bicyclic molecule; Substrate (aquarium); Serine; Antibiotics; Catalysis; Enzyme; Organic chemistry; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004295127,0.000175115,0.0002446095,0.00001766663,0.00004317472,0.00003257327,0.0002002174,0.00003088306,0.00003823415],"category_scores_gemma":[0.0009049477,0.0001322298,0.00004167408,0.0001010062,0.00010989,0.000008649239,0.000126435,0.0001771737,0.000003706743],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001358843,"about_ca_system_score_gemma":0.0001681165,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001366829,"about_ca_topic_score_gemma":0.00000289825,"domain_scores_codex":[0.998845,0.0001025813,0.0003280815,0.0002855225,0.000247657,0.0001911996],"domain_scores_gemma":[0.9987842,0.00001916903,0.0002397314,0.0002918878,0.0004177412,0.0002472666],"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":[0.0005178337,0.00005165054,0.003214482,0.0001002713,0.0001080314,0.001422585,0.00005926293,0.00000759695,0.9910697,5.74798e-7,0.001997779,0.001450262],"study_design_scores_gemma":[0.001086995,0.0004661115,0.0204715,0.0002667381,0.00006767151,0.003275792,0.0005515075,8.706443e-7,0.9036739,9.350251e-7,0.06996272,0.0001752171],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.993912,0.001276633,0.0003422547,0.0009109885,0.00008897842,0.00005169286,0.00000577819,0.000004360536,0.003407328],"genre_scores_gemma":[0.9916723,0.0002690855,0.005323005,0.0002856388,0.0007541446,3.015713e-7,0.00002092266,0.00003483883,0.001639715],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08739572,"threshold_uncertainty_score":0.5392174,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008661495145868238,"score_gpt":0.2141788684820793,"score_spread":0.2055173733362111,"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."}}