{"id":"W2895517266","doi":"10.1021/acs.molpharmaceut.8b00905","title":"In Silico Screen and Structural Analysis Identifies Bacterial Kinase Inhibitors which Act with β-Lactams To Inhibit Mycobacterial Growth","year":2018,"lang":"en","type":"article","venue":"Molecular Pharmaceutics","topic":"Tuberculosis Research and Epidemiology","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Institutes of Health; National Institute of Allergy and Infectious Diseases; Ministero dello Sviluppo Economico; Genome Canada; Fundação de Amparo à Pesquisa do Estado de São Paulo; U.S. Department of Veterans Affairs; Ontario Ministry of Economic Development and Innovation; Center for Scientific Review; Novartis Pharma; Georgia Clinical and Translational Science Alliance; National Cancer Institute; European Federation of Pharmaceutical Industries and Associations; National Center for Advancing Translational Sciences; Wellcome Trust; GlaxoSmithKline; Pfizer","keywords":"In silico; Chemistry; Kinase; Microbiology; Computational biology; Biology; Biochemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004191114,0.001427062,0.001497251,0.0008351922,0.0005637543,0.0008749419,0.001078921,0.0007601376,0.002898643],"category_scores_gemma":[0.0008698401,0.0004488891,0.001689136,0.0006569884,0.0002142145,0.0004046521,0.0003427995,0.0005156877,0.0008989795],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006470861,"about_ca_system_score_gemma":0.001301491,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002532818,"about_ca_topic_score_gemma":0.004698702,"domain_scores_codex":[0.9996963,0.00006092491,0.00002148763,0.00005613919,0.0001048658,0.00006036023],"domain_scores_gemma":[0.9996835,0.0001655111,0.00005776957,0.00001910438,0.00004419978,0.00002985902],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.002220082,0.002228702,0.04285511,0.003108184,0.001018565,0.002841411,0.0001484347,0.6450438,0.2378362,0.005791008,0.005691916,0.05121659],"study_design_scores_gemma":[0.0002429548,0.002187508,0.005612446,0.00007512298,0.0007699654,0.0006600689,0.0001131886,0.9127445,0.06820894,0.0009562962,0.008388251,0.00004078395],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9534491,0.003846671,0.02154995,0.0004710949,0.0000663934,0.0003068038,0.005735115,0.002466641,0.01210816],"genre_scores_gemma":[0.9503762,0.002952864,0.03334179,0.0001667532,0.00001808991,0.0002239587,0.01093907,0.0001423995,0.001838951],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002898643,"threshold_uncertainty_score":0.009696901,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01948342159291985,"score_gpt":0.3462045556546183,"score_spread":0.3267211340616985,"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."}}