{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004180981,0.0002181644,0.0006501533,0.00007683882,0.0001315543,0.00001495576,0.0002125861,0.0001884616,0.00015826],"category_scores_gemma":[0.002256267,0.0001311944,0.000120866,0.0002090142,0.001063087,0.00009582721,0.00009425499,0.0001728736,0.000001139738],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003551636,"about_ca_system_score_gemma":0.0001466411,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006301001,"about_ca_topic_score_gemma":0.00001571177,"domain_scores_codex":[0.9980884,0.00007466035,0.0004927659,0.0004213786,0.0006178308,0.0003049616],"domain_scores_gemma":[0.9977953,0.0004522378,0.0002476512,0.0005278449,0.0008362222,0.0001406817],"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":[0.001008897,0.0001366126,0.0009290852,0.00005481302,0.0002448698,0.000001071357,0.001629339,2.858738e-7,0.9892814,0.0002910486,0.003310794,0.003111759],"study_design_scores_gemma":[0.0027158,0.0006891957,0.1322226,0.00004710835,0.0002217032,0.00001323417,0.0009874804,0.0001945465,0.8595511,0.002219198,0.001028031,0.0001099998],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9938192,0.002701301,0.00005589392,0.001698465,0.00010147,0.0009782659,0.0002459647,0.00002764777,0.0003718337],"genre_scores_gemma":[0.996244,0.0002679484,0.001984119,0.0001513851,0.000958952,0.00009293693,0.0002377469,0.0000246583,0.0000382812],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1312936,"threshold_uncertainty_score":0.5349951,"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."}}