{"id":"W1991727540","doi":"10.1002/cmdc.201300072","title":"From On‐Target to Off‐Target Activity: Identification and Optimisation of <i>Trypanosoma brucei</i> GSK3 Inhibitors and Their Characterisation as Anti‐<i>Trypanosoma brucei</i> Drug Discovery Lead Molecules","year":2013,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Trypanosoma species research and implications","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"Discovery Centre","funders":"National Institute of Allergy and Infectious Diseases; Medical Research Council; Wellcome Trust; National Institutes of Health; University of Dundee","keywords":"Trypanosoma brucei; Pharmacophore; Drug discovery; African trypanosomiasis; Biology; Drug target; Computational biology; Drug development; Drug; Biochemistry; Pharmacology; Virology; Trypanosomiasis; Gene","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":[0.0002746057,0.0004740818,0.0004260707,0.0003008285,0.0001909402,0.0004431295,0.0003007055,0.0002607146,0.003055572],"category_scores_gemma":[0.0002545599,0.0001991036,0.0003545574,0.0003215251,0.0002639591,0.0003058783,0.0003234201,0.0006006068,0.0006137859],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004214692,"about_ca_system_score_gemma":0.000395977,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000694412,"about_ca_topic_score_gemma":0.002457417,"domain_scores_codex":[0.9998185,0.00004238215,0.00001356976,0.00002455035,0.0000595647,0.00004142431],"domain_scores_gemma":[0.999913,0.00002420546,0.00001970008,0.000009392375,0.00001843549,0.00001526785],"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":[0.0004584111,0.0002292313,0.0004870843,0.0003295782,0.00002408976,0.0001939315,0.00005689451,0.001791085,0.9744377,0.0003375096,0.000356618,0.02129786],"study_design_scores_gemma":[0.0001615018,0.003456246,0.002550495,0.0000458991,0.00007391081,0.0005883467,0.00005484075,0.001726414,0.9840817,0.0001817506,0.007055342,0.0000234145],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.965857,0.00905388,0.0101537,0.0004309734,0.00005326973,0.0004233093,0.0009000556,0.0002470281,0.01288088],"genre_scores_gemma":[0.9805105,0.006859341,0.007157836,0.000268021,0.00001443527,0.0001091377,0.0008432086,0.00004631744,0.004191218],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.003055572,"threshold_uncertainty_score":0.0102219,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01287284632180595,"score_gpt":0.2568312228050081,"score_spread":0.2439583764832022,"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."}}