{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0008436711,0.001799552,0.001989956,0.001207423,0.0004908256,0.001135082,0.001143811,0.0007462256,0.002694939],"category_scores_gemma":[0.0007669664,0.0004561761,0.001714525,0.0008152269,0.0002926178,0.0004334656,0.0007230703,0.0008159392,0.0004848096],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00065474,"about_ca_system_score_gemma":0.0009178918,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001693974,"about_ca_topic_score_gemma":0.002813485,"domain_scores_codex":[0.999653,0.000108296,0.00001835401,0.00006789563,0.00009158313,0.00006083855],"domain_scores_gemma":[0.9998227,0.00007792791,0.00002613187,0.00001447464,0.0000300322,0.00002879978],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.006192896,0.00616642,0.00927289,0.005042006,0.002192506,0.002037497,0.0002124027,0.6519132,0.1521679,0.007012493,0.01125841,0.1465313],"study_design_scores_gemma":[0.003188434,0.0140073,0.006136959,0.0002262755,0.002757499,0.001020891,0.0002604505,0.8532099,0.09139802,0.003173152,0.02439804,0.0002230972],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9492596,0.01396943,0.01283741,0.0006257314,0.0001623927,0.0009563401,0.006460771,0.001694658,0.01403377],"genre_scores_gemma":[0.9642085,0.005442128,0.01834899,0.0003333896,0.00003330645,0.0005561859,0.007756658,0.00007569103,0.003245151],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002694939,"threshold_uncertainty_score":0.009015441,"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."}}