{"id":"W4414213820","doi":"10.3390/biomedicines13092202","title":"Integrated Virtual Screening for Anti-Caries Compounds from Neem: Dual-Target Inhibition of Biofilm Formation and Bacterial DNA Replication","year":2025,"lang":"en","type":"article","venue":"Biomedicines","topic":"Biochemical Analysis and Sensing Techniques","field":"Nursing","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"University of Zululand","keywords":"In silico; Virtual screening; Biofilm; Docking (animal); Virulence; DNA gyrase; AutoDock; DNA","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":[0.0004592656,0.0007858277,0.0009966742,0.0004964572,0.0002233708,0.0005639317,0.0005823886,0.0003605507,0.002018685],"category_scores_gemma":[0.0004437165,0.000242826,0.0008474547,0.0004278812,0.00023264,0.0002600086,0.0005360362,0.000617283,0.0003848607],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000366098,"about_ca_system_score_gemma":0.0004473662,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005276846,"about_ca_topic_score_gemma":0.001687495,"domain_scores_codex":[0.9998142,0.00003774379,0.000009186799,0.00004069725,0.00007003083,0.00002807257],"domain_scores_gemma":[0.9999082,0.00002537463,0.00001748741,0.0000128994,0.00001978403,0.00001617611],"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":[0.001745329,0.0007591954,0.002069494,0.001116053,0.0003356425,0.0002433048,0.0000656068,0.01945177,0.9264441,0.0004926664,0.001037291,0.04623969],"study_design_scores_gemma":[0.0007119532,0.0100212,0.00743885,0.0001391377,0.000782854,0.001178414,0.00008863282,0.03244937,0.9264914,0.0004322347,0.0201684,0.00009755824],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9701588,0.008938722,0.01319389,0.0001899815,0.00006976804,0.0003122591,0.00218142,0.0005214221,0.004433787],"genre_scores_gemma":[0.970157,0.004916492,0.01901761,0.0001236334,0.00001401747,0.000198451,0.002849408,0.00004367963,0.002679823],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002018685,"threshold_uncertainty_score":0.006753206,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0201372105856098,"score_gpt":0.2724550556975082,"score_spread":0.2523178451118984,"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."}}