{"id":"W4306723867","doi":"10.1021/acsomega.2c03671","title":"Drug-Repurposing Approach To Combat <i>Staphylococcus aureus</i>: Biomolecular and Binding Interaction Study","year":2022,"lang":"en","type":"article","venue":"ACS Omega","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":26,"is_retracted":false,"has_abstract":true,"ca_institutions":"York University","funders":"Council of Scientific and Industrial Research, India; Department of Biotechnology, Ministry of Science and Technology, India","keywords":"Staphylococcus aureus; Repurposing; Drug repositioning; Drug; Chemistry; Computational biology; Microbiology; Medicine; Pharmacology; Biology; Bacteria; Ecology; Genetics","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":[0.0001768593,0.000352015,0.0004065277,0.0001909826,0.0002255888,0.000347169,0.0003332448,0.0002802348,0.001952871],"category_scores_gemma":[0.0001823482,0.00009391688,0.0004211441,0.0001438197,0.0001153295,0.0003377971,0.0002194433,0.0003814279,0.0003056061],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003491903,"about_ca_system_score_gemma":0.0005332101,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002009905,"about_ca_topic_score_gemma":0.00312067,"domain_scores_codex":[0.999935,0.00001311339,0.000002418452,0.00001456867,0.00001955518,0.00001540773],"domain_scores_gemma":[0.9999633,0.00000987638,0.000008835089,0.000002594461,0.000007792381,0.000007685926],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006696961,0.00122326,0.005574769,0.001250016,0.0002901322,0.0005816338,0.0001322211,0.1145524,0.7580349,0.01840025,0.004757084,0.09453359],"study_design_scores_gemma":[0.0001304378,0.002347037,0.002818996,0.00006496737,0.0002757881,0.0004357659,0.0001883549,0.7029279,0.2686061,0.003009337,0.01914136,0.00005396735],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8961058,0.009505622,0.06806449,0.001096271,0.0001311574,0.0002661959,0.0005378757,0.0003962973,0.02389639],"genre_scores_gemma":[0.9697281,0.003137415,0.0233787,0.0002285853,0.00001312607,0.00005611932,0.0002814319,0.00002011912,0.003156364],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002009905,"threshold_uncertainty_score":0.006532967,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0235317389175644,"score_gpt":0.2970108857419204,"score_spread":0.273479146824356,"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."}}