{"id":"W2010857942","doi":"10.1021/jm5015742","title":"Novel 3-Nitrotriazole-Based Amides and Carbinols as Bifunctional Antichagasic Agents","year":2015,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Trypanosoma species research and implications","field":"Medicine","cited_by":55,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"Fondo Nacional de Desarrollo Científico y Tecnológico; National Institute of General Medical Sciences; School of Medicine, New York University; National Institutes of Health; Drugs for Neglected Diseases initiative; York University; Bill and Melinda Gates Foundation; NorthShore University HealthSystem; Bundesministerium für Bildung und Forschung","keywords":"Chemistry; Bifunctional; Nitroreductase; In vitro; Combinatorial chemistry; In vivo; Bioisostere; Trypanosoma cruzi; Stereochemistry; Enzyme; Chemical synthesis; Biochemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001524143,0.0001268498,0.0003036424,0.000101648,0.00005213923,0.00002429711,0.0001192384,0.00009079376,0.0002442787],"category_scores_gemma":[0.00148607,0.00009561139,0.00009243326,0.000182732,0.0002028512,0.00009155187,0.0000289904,0.0004733101,0.00001181896],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001562824,"about_ca_system_score_gemma":0.001218458,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001814127,"about_ca_topic_score_gemma":4.594785e-7,"domain_scores_codex":[0.9982559,0.00001375528,0.0003941501,0.0001317457,0.0009778854,0.0002265511],"domain_scores_gemma":[0.9979606,0.00009757919,0.0002162933,0.0001705864,0.0007268223,0.0008281245],"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":[0.001103641,0.0003674452,0.008212361,0.0001784941,0.0001496028,0.0002377975,0.0000616717,0.00001037475,0.9697828,0.00003043773,0.01734902,0.002516387],"study_design_scores_gemma":[0.03828331,0.003938046,0.3767352,0.001613362,0.0008038473,0.03405258,0.002787605,0.001337478,0.4582268,0.000638176,0.08104857,0.0005350298],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9850174,0.001080672,0.001147985,0.007214004,0.0001306653,0.0001097075,0.00001080001,0.00001322476,0.005275557],"genre_scores_gemma":[0.9959498,0.00006980576,0.001110359,0.0006345578,0.001033173,0.000003828396,0.00001345606,0.00001390925,0.001171092],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.511556,"threshold_uncertainty_score":0.389892,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.0760219737707718,"score_gpt":0.3447585825538907,"score_spread":0.2687366087831189,"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."}}