{"id":"W4220697184","doi":"10.3390/computation10040051","title":"In Silico Analysis of the Multi-Targeted Mode of Action of Ivermectin and Related Compounds","year":2022,"lang":"en","type":"article","venue":"Computation","topic":"Antimicrobial Peptides and Activities","field":"Immunology and Microbiology","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"","keywords":"In silico; Ivermectin; Docking (animal); Infectivity; Mode of action; Chemistry; Virus; Binding site; Receptor; Cholinergic; Mechanism of action; Biology; Pharmacology; Virology; Biochemistry; In vitro; Medicine; Gene","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":[0.0003231773,0.001181534,0.001335632,0.0006748041,0.0004231903,0.000996462,0.0007343065,0.0009591628,0.005610994],"category_scores_gemma":[0.0007037578,0.0004380957,0.001790867,0.0005399645,0.0002450263,0.0003227462,0.0003241366,0.0004713603,0.0006282146],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000692652,"about_ca_system_score_gemma":0.000995625,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006764587,"about_ca_topic_score_gemma":0.006571315,"domain_scores_codex":[0.9998286,0.00004268933,0.000009197925,0.00002738007,0.00004471262,0.00004749712],"domain_scores_gemma":[0.9996067,0.0002774017,0.00004245488,0.00000988256,0.00004044032,0.00002326522],"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":[0.0002640744,0.0001185609,0.003320744,0.0003282328,0.0001651386,0.0002414333,0.00002053585,0.9800919,0.009465536,0.001255568,0.0005518849,0.004176251],"study_design_scores_gemma":[0.00009412358,0.0004340866,0.001618955,0.00002888548,0.0001845668,0.0001477415,0.00005219044,0.9909827,0.004036255,0.0008200825,0.001582862,0.00001754036],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9363085,0.001994731,0.02869759,0.0004071193,0.0000751106,0.0002192197,0.004574435,0.0005000805,0.02722314],"genre_scores_gemma":[0.9797948,0.001270353,0.01246618,0.0001982171,0.00001532421,0.0002256382,0.002492367,0.00006746403,0.003469705],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006764587,"threshold_uncertainty_score":0.01877069,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01462260943404378,"score_gpt":0.2626417169363084,"score_spread":0.2480191075022646,"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."}}