{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001399834,0.0003322449,0.0003914592,0.000117825,0.00007301535,0.0001704053,0.0004434268,0.0002708066,0.001075089],"category_scores_gemma":[0.0001291628,0.0001054279,0.0002021674,0.0001187991,0.0001469079,0.0002302594,0.0001504431,0.0006331113,0.0003992776],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001399509,"about_ca_system_score_gemma":0.0001843065,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001930876,"about_ca_topic_score_gemma":0.0004181542,"domain_scores_codex":[0.9999373,0.00001285927,0.000008730914,0.00001150874,0.00001494434,0.00001468733],"domain_scores_gemma":[0.9999236,0.000009634505,0.0000315261,0.00000540949,0.0000114793,0.00001846112],"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":[0.001299611,0.000278362,0.000213039,0.0003748279,0.00004114734,0.0003196218,0.00003731603,0.0005496279,0.9701611,0.0004802061,0.0004121433,0.02583302],"study_design_scores_gemma":[0.001829444,0.01719461,0.004351599,0.00003843317,0.0001687607,0.002468566,0.00003491099,0.00318189,0.9526991,0.0002115932,0.01777781,0.00004333806],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9771499,0.01125402,0.006297297,0.0002051802,0.00009459721,0.000169266,0.0005108531,0.0002051878,0.00411384],"genre_scores_gemma":[0.982239,0.005429293,0.00870926,0.0002071628,0.00007076743,0.0001245232,0.0007317288,0.00002463624,0.002463603],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001075089,"threshold_uncertainty_score":0.003596544,"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."}}