{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","sts"],"consensus_categories":[],"category_scores_codex":[0.001530167,0.0006067059,0.0007535887,0.0007496389,0.001361455,0.0003277261,0.0007009049,0.0002243996,0.0001900782],"category_scores_gemma":[0.000379319,0.0005764116,0.0001132075,0.001726576,0.0009592552,0.000548244,0.0009368557,0.0008279375,0.00001467966],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002666398,"about_ca_system_score_gemma":0.0004309396,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001570014,"about_ca_topic_score_gemma":0.00004063932,"domain_scores_codex":[0.9931388,0.0001826433,0.001099227,0.001523902,0.003089195,0.0009661824],"domain_scores_gemma":[0.9966523,0.0002873521,0.0008385472,0.0002733729,0.001438326,0.0005101245],"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":[0.0003936872,0.0003979304,0.0001827448,0.000191024,0.0001835271,0.000004207738,0.002800468,0.7497407,0.2371207,0.002523596,0.004914311,0.001547081],"study_design_scores_gemma":[0.001686586,0.00046097,0.004791261,0.0006196423,0.0001261327,0.00002234746,0.001003861,0.9861285,0.0004802844,0.001669988,0.001983318,0.001027092],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7539559,0.0006827265,0.2428319,0.000502322,0.0005912777,0.001041224,0.0001867769,0.00008537924,0.0001224859],"genre_scores_gemma":[0.9346534,0.00006695189,0.06379645,0.0001928885,0.0001615792,0.0001684382,0.0007525262,0.00005004562,0.0001577361],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.2366404,"threshold_uncertainty_score":0.9999386,"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."}}