{"id":"W2107968554","doi":"10.1021/jm500809c","title":"Lead Optimization of a Pyrazole Sulfonamide Series of <i>Trypanosoma brucei</i> <i>N</i> -Myristoyltransferase Inhibitors: Identification and Evaluation of CNS Penetrant Compounds as Potential Treatments for Stage 2 Human African Trypanosomiasis","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Trypanosoma species research and implications","field":"Medicine","cited_by":75,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"Office of Naval Research; Medical Research Council; Wellcome Trust; Wellcome","keywords":"Pyrazole; Sulfonamide; Chemistry; Trypanosoma brucei; Pharmacology; African trypanosomiasis; Linker; Biochemistry; Stereochemistry; Trypanosomiasis; Biology; Immunology","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002218014,0.000569828,0.0004871624,0.0003231982,0.0002168058,0.0002826872,0.0004466578,0.0002885302,0.001602566],"category_scores_gemma":[0.0001960317,0.0001725913,0.0002543486,0.0003349571,0.0001798816,0.0002068114,0.0002651893,0.0004457274,0.0003199007],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003841124,"about_ca_system_score_gemma":0.0005239142,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001319312,"about_ca_topic_score_gemma":0.00553872,"domain_scores_codex":[0.9998847,0.00002122121,0.00001115062,0.00002217456,0.00002993409,0.00003070486],"domain_scores_gemma":[0.9999397,0.00000752673,0.00001343217,0.000005490758,0.00001560112,0.00001817815],"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":[0.001196914,0.0006535311,0.0008155559,0.000451164,0.00004779179,0.0005950148,0.0001724974,0.008403374,0.9505142,0.001078485,0.001077622,0.03499393],"study_design_scores_gemma":[0.001061667,0.01719155,0.005908328,0.0001048325,0.000209613,0.00104829,0.0001165642,0.006756173,0.9288579,0.0004810776,0.03818921,0.00007477745],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.974245,0.008459664,0.005026448,0.000401749,0.000102057,0.0005955738,0.001108438,0.0001980861,0.009862871],"genre_scores_gemma":[0.976208,0.00846748,0.008477397,0.0002219686,0.00002489509,0.0001615665,0.00129705,0.00003325995,0.005108394],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001602566,"threshold_uncertainty_score":0.00536108,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02309105363295032,"score_gpt":0.3145221104108139,"score_spread":0.2914310567778636,"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."}}