{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.00003717652,0.0004257518,0.000621586,0.0002894463,0.0001905994,0.0002113853,0.0002099891,0.0002183103,0.0001035905],"category_scores_gemma":[0.0004469425,0.000373378,0.000133191,0.0004384012,0.0003067688,0.0009957459,0.0001912379,0.000358617,0.0001211436],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000139765,"about_ca_system_score_gemma":0.0001661381,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005151071,"about_ca_topic_score_gemma":0.000009247231,"domain_scores_codex":[0.9974104,0.00008500064,0.0006198366,0.0008403877,0.0005551672,0.0004892627],"domain_scores_gemma":[0.9978323,0.0002595276,0.0003383576,0.0007970361,0.0003193086,0.0004534486],"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":[0.0001692138,0.0003341703,0.003078063,0.0001184465,0.00009511074,0.000002740515,0.001435227,0.000003181694,0.9786917,0.00008490697,0.003613274,0.01237395],"study_design_scores_gemma":[0.0006789005,0.0001385489,0.3689704,0.0001258666,0.00002463647,0.0000149361,0.0006890128,0.0002170453,0.6272111,0.0005452126,0.001167583,0.0002168283],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9854831,0.0003544005,0.0004305686,0.01090802,0.0001543153,0.001408912,0.0002338232,0.0001036857,0.0009232035],"genre_scores_gemma":[0.9956834,0.0003191757,0.0009331118,0.0008080826,0.0003947233,0.000239453,0.0004998312,0.0000696542,0.001052551],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.3658923,"threshold_uncertainty_score":0.9998718,"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."}}