{"id":"W4220750625","doi":"10.1002/jcb.30232","title":"Structure‐based virtual screening and biological evaluation of novel inhibitors of mycobacterium Z‐ring formation","year":2022,"lang":"en","type":"article","venue":"Journal of Cellular Biochemistry","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":25,"is_retracted":false,"has_abstract":true,"ca_institutions":"Niagara College","funders":"National Research Foundation of Ukraine","keywords":"Virtual screening; Ring (chemistry); Computational biology; Chemistry; Mycobacterium; Microbiology; Biology; Stereochemistry; Combinatorial chemistry; Biochemistry; Genetics; Drug discovery; Organic chemistry; Bacteria","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":[0.0006669454,0.00009700166,0.0001638876,0.00005297795,0.00004937168,0.000006967348,0.0001209939,0.00008864104,0.00003063455],"category_scores_gemma":[0.0000443699,0.00009123549,0.0001043548,0.00007157457,0.00004846212,0.000005343966,0.00009033388,0.0001225133,1.099202e-8],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003069008,"about_ca_system_score_gemma":0.0001373414,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000001740101,"about_ca_topic_score_gemma":2.725428e-7,"domain_scores_codex":[0.9989662,0.00005187331,0.0004000289,0.0001142818,0.0003722452,0.00009536652],"domain_scores_gemma":[0.9989488,0.000009358389,0.0006017963,0.0001251076,0.0002689087,0.00004599207],"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":[0.0001995435,0.00005856653,0.000117335,0.00003355764,0.00004428134,5.65136e-7,0.00003400644,0.001532517,0.9954723,0.00001569678,0.000009977652,0.002481717],"study_design_scores_gemma":[0.001487182,0.0005241052,0.00008929827,0.00002596648,0.00006683422,0.00004516735,0.000312216,0.002287311,0.9948161,0.00003050212,0.0002251007,0.00009022123],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9753355,0.001012527,0.02334197,0.0000231559,0.0001386146,0.00006908803,0.00005601687,0.000001166481,0.00002190185],"genre_scores_gemma":[0.9983734,0.00002399326,0.001340534,0.00002896784,0.0001381218,0.000002261726,0.00007828079,0.00000891425,0.000005471872],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02303789,"threshold_uncertainty_score":0.3720475,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02964537875773946,"score_gpt":0.2628198470931344,"score_spread":0.233174468335395,"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."}}