{"id":"W4320803832","doi":"10.3390/mol2net-08-13880","title":"Identification of Natural Products with Potential Activity against <em>Leishmania amazonensis </em>using computational models and experimental corroboration","year":2022,"lang":"en","type":"article","venue":"Proceedings of MOL2NET'22, Conference on Molecular, Biomedical & Computational Sciences and Engineering, 8th ed. - MOL2NET: FROM MOLECULES TO NETWORKS","topic":"Diverse Scientific Research Studies","field":"Health Professions","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"Carleton University","funders":"","keywords":"Leishmania; Enumeration; Identification (biology); Computational biology; Leishmaniasis; Machine learning; Biology; Computer science; Artificial intelligence; Mathematics; Parasite hosting; Immunology; Botany","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":[0.0002425571,0.0004394724,0.0005913287,0.0003606303,0.0001824139,0.0005935901,0.000350253,0.0003606892,0.001524476],"category_scores_gemma":[0.0004653703,0.0001520413,0.0009030651,0.0004174938,0.0001418803,0.0004162857,0.0001954135,0.0002527151,0.000163642],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004118893,"about_ca_system_score_gemma":0.0007687521,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003793106,"about_ca_topic_score_gemma":0.005406207,"domain_scores_codex":[0.9999368,0.00001934215,0.000004304997,0.00001607927,0.00001365866,0.000009793377],"domain_scores_gemma":[0.9998283,0.0001073607,0.00002472922,0.000007553849,0.00002255782,0.000009516224],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.00023349,0.000247929,0.004872781,0.0008677306,0.0001112347,0.0001907288,0.0000315106,0.9533681,0.01438002,0.00264941,0.0006409329,0.02240606],"study_design_scores_gemma":[0.0000214037,0.0002815937,0.0008404006,0.00001661015,0.00005608366,0.00002709583,0.00002368765,0.9928141,0.004172706,0.000715577,0.001022504,0.00000823668],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9306156,0.002794686,0.05428466,0.0004547793,0.00004710367,0.0001501521,0.001863373,0.0003769551,0.009412679],"genre_scores_gemma":[0.9729442,0.001499318,0.02257778,0.00005353374,0.00001020364,0.0001770379,0.001155725,0.00001937178,0.001562909],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003793106,"threshold_uncertainty_score":0.007542074,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04029708558529693,"score_gpt":0.3250650462860404,"score_spread":0.2847679607007434,"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."}}