{"id":"W2802472281","doi":"10.1016/j.ejmech.2018.04.038","title":"Structure-activity relationship of new antimalarial 1-aryl-3-susbtituted propanol derivatives: Synthesis, preliminary toxicity profiling, parasite life cycle stage studies, target exploration, and targeted delivery","year":2018,"lang":"en","type":"article","venue":"European Journal of Medicinal Chemistry","topic":"Malaria Research and Control","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Canadian Arthritis Network; Ministerio de Economía y Competitividad; Federación Española de Enfermedades Raras; Universidad de Navarra; Generalitat de Catalunya","keywords":"Chemistry; In vivo; Plasmodium berghei; Pharmacology; Plasmodium falciparum; Parasitemia; Genotoxicity; Chloroquine; Cytotoxicity; In silico; Toxicity; In vitro; Stereochemistry; Malaria; Biochemistry; Biology; Immunology; Organic chemistry","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001110897,0.0002664682,0.0001840522,0.000220493,0.00009185758,0.0001346168,0.0002056418,0.0001304061,0.002287325],"category_scores_gemma":[0.0001233599,0.00009007727,0.000181225,0.00021564,0.000116651,0.000184187,0.0001094479,0.0003615099,0.0004256244],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001650107,"about_ca_system_score_gemma":0.0002380459,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007939031,"about_ca_topic_score_gemma":0.002115624,"domain_scores_codex":[0.9999658,0.000007084636,0.000003232632,0.000005563208,0.000006607292,0.00001181403],"domain_scores_gemma":[0.9999461,0.00001009381,0.00001313634,0.000004825626,0.00001291262,0.0000129697],"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":[0.001028096,0.0003080421,0.0005412108,0.0002049542,0.00002122367,0.0002225997,0.00004355242,0.001293784,0.9808674,0.0002770894,0.0002601143,0.01493169],"study_design_scores_gemma":[0.0001830345,0.009958492,0.006285715,0.00002090578,0.0001083968,0.0004313053,0.00004774249,0.00204944,0.9731224,0.0001249001,0.007643418,0.00002421226],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9890984,0.005530069,0.00155708,0.0001627705,0.00003207893,0.00006802882,0.000769799,0.00006020115,0.002721634],"genre_scores_gemma":[0.9886586,0.004814825,0.001450607,0.00009262324,0.00001506339,0.00003342903,0.0009718657,0.00001044598,0.003952564],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002287325,"threshold_uncertainty_score":0.007651865,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04425498713620051,"score_gpt":0.3039304598468057,"score_spread":0.2596754727106052,"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."}}