{"id":"W4417347548","doi":"10.21203/rs.3.rs-8350083/v1","title":"In-silico docking of Ibezapolstat (ACX-362E) on S.aureus and M.genitalium DNA polymerases","year":2025,"lang":"","type":"preprint","venue":"Research Square","topic":"Cancer therapeutics and mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Toronto","funders":"","keywords":"Docking (animal); In silico; Staphylococcus aureus; Polymerase; DNA polymerase; In vivo","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":[0.0004927966,0.002126983,0.002546506,0.0004634413,0.0009133444,0.001702659,0.001599581,0.001498304,0.01684376],"category_scores_gemma":[0.0009539929,0.0008737709,0.001447168,0.0004900297,0.0003352395,0.0006628573,0.0008549299,0.001285992,0.0031689],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.001257816,"about_ca_system_score_gemma":0.001743823,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00938216,"about_ca_topic_score_gemma":0.01298475,"domain_scores_codex":[0.9996173,0.00007079868,0.00001858001,0.00007357336,0.0001051669,0.0001144032],"domain_scores_gemma":[0.9997699,0.0001171224,0.00002014007,0.0000122563,0.00002891703,0.0000516359],"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":[0.004356331,0.0008510687,0.01318667,0.00286764,0.001265474,0.002245277,0.0004899099,0.8434337,0.08008186,0.008530373,0.01179489,0.03089669],"study_design_scores_gemma":[0.000828288,0.00121475,0.002524926,0.0003867701,0.000494385,0.0003903603,0.0004894322,0.9295725,0.04669482,0.002421526,0.01480822,0.0001740858],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9389787,0.004760918,0.01795362,0.001029704,0.0003203853,0.0001769847,0.008148831,0.002041429,0.02658939],"genre_scores_gemma":[0.9677402,0.002583462,0.01428976,0.0002095212,0.00002428995,0.0002125702,0.00763942,0.0004038989,0.006896874],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01684376,"threshold_uncertainty_score":0.05634803,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04310921868676969,"score_gpt":0.4041304581687944,"score_spread":0.3610212394820247,"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."}}