{"id":"W2054041231","doi":"10.1021/jm300690s","title":"Novel N-Linked Aminopiperidine Inhibitors of Bacterial Topoisomerase Type II with Reduced p<i>K</i><sub>a</sub>: Antibacterial Agents with an Improved Safety Profile","year":2012,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":92,"is_retracted":false,"has_abstract":true,"ca_institutions":"AstraZeneca (Canada)","funders":"Johns Hopkins University; AstraZeneca","keywords":"hERG; DNA gyrase; Chemistry; Topoisomerase IV; In vivo; Topoisomerase; Antibacterial activity; Pharmacology; Quinolone; IC50; Stereochemistry; Escherichia coli; Antibiotics; Biochemistry; In vitro; Bacteria; Potassium channel; Biology","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":[0.0003322749,0.0002424122,0.0003810316,0.00003268614,0.00007068409,0.00001209812,0.000200749,0.0001854936,0.00008727617],"category_scores_gemma":[0.00003580613,0.0001736921,0.00008236542,0.0001059625,0.0001192258,0.00002496662,0.00005796379,0.0002209418,2.775589e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004701185,"about_ca_system_score_gemma":0.0003769906,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000005663651,"about_ca_topic_score_gemma":0.000002776806,"domain_scores_codex":[0.9986303,0.00002354953,0.0004911612,0.0002012053,0.0003359037,0.0003178152],"domain_scores_gemma":[0.9984164,0.000007109903,0.000638735,0.0002677385,0.0003614985,0.0003085219],"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":[0.009272004,0.0003936954,0.00009035813,0.00007985348,0.0001990498,0.000007053294,0.0001677456,0.0000023234,0.9876598,9.749278e-7,0.0001253097,0.002001803],"study_design_scores_gemma":[0.004292258,0.003892342,0.0005019266,0.0001429835,0.0001648679,0.00053179,0.0001985319,0.00001023508,0.9874834,0.00000104192,0.002559441,0.0002211738],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9984681,0.0002250963,0.0002393058,0.00006993859,0.0007168601,0.0001357121,0.00004021891,0.000004621743,0.0001001219],"genre_scores_gemma":[0.9950902,0.0001654257,0.001007858,0.00008005822,0.003415844,0.00000323899,0.0001489128,0.0000380119,0.00005047857],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004979747,"threshold_uncertainty_score":0.7082957,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01160040332829016,"score_gpt":0.2442834730937762,"score_spread":0.232683069765486,"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."}}