{"id":"W2795684842","doi":"10.1002/cmdc.201800067","title":"Biological Evaluation and X‐ray Co‐crystal Structures of Cyclohexylpyrrolidine Ligands for Trypanothione Reductase, an Enzyme from the Redox Metabolism of Trypanosoma","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Research on Leishmaniasis Studies","field":"Medicine","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"Canada Research Chairs; University Health Network; University of Toronto; Ontario Institute for Cancer Research","funders":"Argonne National Laboratory; National Institute of General Medical Sciences; Office of Science; University of Toronto; Deutsche Forschungsgemeinschaft","keywords":"Trypanosoma brucei; Biochemistry; Enzyme; Thioredoxin reductase; Trypanosoma; Reductase; Chemistry; Leishmania; Trypanosoma cruzi; Glutathione reductase; African trypanosomiasis; Binding site; Glutathione; Oxidoreductase; Redox; Biology; Trypanosomiasis","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001526421,0.0002760258,0.0002503726,0.00009221988,0.0001168573,0.0003029746,0.0003627645,0.0002021753,0.001194673],"category_scores_gemma":[0.0002001228,0.000159257,0.000113675,0.0001277262,0.000143499,0.0001079283,0.00008363294,0.0004819448,0.0002835726],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003484366,"about_ca_system_score_gemma":0.0002118302,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001233573,"about_ca_topic_score_gemma":0.00124194,"domain_scores_codex":[0.9998969,0.00002913286,0.000005492958,0.00001339097,0.00003964249,0.00001536814],"domain_scores_gemma":[0.9999366,0.00001945544,0.00001499286,0.000004252212,0.00001254456,0.00001220964],"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":[0.0005547988,0.0002361093,0.0005070154,0.0002579037,0.00003170665,0.0002707363,0.00006862896,0.004979456,0.9856519,0.0007086932,0.0005775912,0.006155387],"study_design_scores_gemma":[0.0003493021,0.001228659,0.00209262,0.00002058607,0.00005398477,0.0003746832,0.00007152434,0.01747544,0.9711285,0.00008149024,0.007109085,0.00001423807],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9908497,0.003677317,0.002027746,0.0001351949,0.00003493268,0.00004075955,0.0003304823,0.00004045172,0.002863353],"genre_scores_gemma":[0.9910845,0.002048002,0.003292885,0.00003560704,0.000007874197,0.00002790038,0.001155596,0.00001259615,0.002335082],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001233573,"threshold_uncertainty_score":0.003996611,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07846261154851601,"score_gpt":0.3732745866219997,"score_spread":0.2948119750734837,"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."}}