{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002592136,0.0001930334,0.0006583304,0.0001815,0.00009586886,0.00001504732,0.0001699348,0.0001389948,0.00007316738],"category_scores_gemma":[0.0005630646,0.0001685672,0.0002205003,0.0002491183,0.0004350807,0.0002119197,0.00002090588,0.0002046217,2.01828e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001488388,"about_ca_system_score_gemma":0.000470551,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00006707667,"about_ca_topic_score_gemma":0.000006712667,"domain_scores_codex":[0.9968091,0.00008699449,0.001315693,0.0002164255,0.001363725,0.0002080516],"domain_scores_gemma":[0.9964541,0.0001316428,0.001096657,0.0003093275,0.001790479,0.0002177553],"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":[0.001329199,0.0005631729,0.0006900883,0.0008458074,0.0002996512,0.000003039807,0.0003256281,0.0005398461,0.9930168,0.00003927715,0.0002839194,0.002063529],"study_design_scores_gemma":[0.007671872,0.001791877,0.03089091,0.0004872529,0.001361587,0.0002921312,0.001427343,0.00162609,0.9539576,0.0002170781,0.0001546775,0.0001215432],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9931207,0.0006286817,0.004066925,0.0007704041,0.00006728711,0.0005005781,0.0001386227,0.000007293453,0.0006995256],"genre_scores_gemma":[0.9979293,0.0003100854,0.001124656,0.00001794369,0.0002435305,0.00002222314,0.000141631,0.00002416684,0.0001865105],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03905921,"threshold_uncertainty_score":0.6873972,"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."}}