{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001948313,0.0001107179,0.0002666833,0.0002208949,0.00009317242,0.00003508994,0.00003889732,0.0001277708,0.000004657496],"category_scores_gemma":[0.0001902085,0.0000885888,0.00004980245,0.0003180918,0.0001865873,0.0001023099,0.00002566749,0.00004940933,1.845101e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00002176203,"about_ca_system_score_gemma":0.000008839278,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003407339,"about_ca_topic_score_gemma":0.00001384597,"domain_scores_codex":[0.9991734,0.00003365051,0.0003780565,0.0002166237,0.00009789964,0.0001003955],"domain_scores_gemma":[0.9993217,0.0001135779,0.0001674948,0.0001868568,0.0001842738,0.00002607724],"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":[0.0002817019,0.0000274954,0.000318896,0.0000424297,0.00002842426,1.0743e-7,0.0001657132,1.193674e-7,0.9767485,0.0002321098,0.007478793,0.01467576],"study_design_scores_gemma":[0.0006228932,0.0001618768,0.002357777,0.0003624744,0.0001103428,0.000001114993,0.0003088965,0.005400785,0.9823981,0.002413909,0.005769038,0.00009279874],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9514596,0.0001364158,0.04412209,0.00359995,0.0002299657,0.0002116563,0.0001123473,0.00009201245,0.00003600354],"genre_scores_gemma":[0.9826362,0.00001454721,0.01495019,0.0001800714,0.0001639533,0.000008237793,0.002027171,0.000007048868,0.00001256726],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03117666,"threshold_uncertainty_score":0.3612546,"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."}}