{"id":"W3187331678","doi":"10.1002/cmdc.202100509","title":"Direct, Late‐Stage Mono‐<i>N</i>‐arylation of Pentamidine: Method Development, Mechanistic Insight, and Expedient Access to Novel Antiparastitics against Diamidine‐Resistant Parasites","year":2021,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Trypanosoma species research and implications","field":"Medicine","cited_by":8,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute of Infection and Immunity","funders":"Petroleum Technology Development Fund; Engineering and Physical Sciences Research Council; University of Glasgow; GlaxoSmithKline","keywords":"Pentamidine; Chemistry; Leishmania; Combinatorial chemistry; Stereochemistry; Pharmacology; Biology; Parasite hosting; Medicine","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":[0.0001815972,0.0003662258,0.0001582689,0.0000979293,0.000120248,0.000106848,0.0003310639,0.0002398748,0.001023812],"category_scores_gemma":[0.0002098081,0.0001155529,0.0001362363,0.0001121698,0.0001579604,0.000213138,0.0002483577,0.000468766,0.000370393],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001950992,"about_ca_system_score_gemma":0.0002052761,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003870907,"about_ca_topic_score_gemma":0.00103349,"domain_scores_codex":[0.9998869,0.00002721339,0.000009677449,0.00002863461,0.0000189799,0.00002864346],"domain_scores_gemma":[0.9999151,0.00001657125,0.0000319933,0.00001147024,0.00001383823,0.00001105986],"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":[0.00009053548,0.00002886866,0.0001135522,0.000206866,0.000008498069,0.0001721079,0.00006619802,0.0001383572,0.9917507,0.0003144412,0.0001450132,0.006964819],"study_design_scores_gemma":[0.00001272327,0.0005330445,0.0005703537,0.000008336822,0.00001119079,0.0005934287,0.00002507183,0.0004411279,0.993422,0.0000778343,0.004294781,0.00001021755],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.8602417,0.006110538,0.1147553,0.0004631399,0.00009417939,0.0003708624,0.0005164719,0.0004489437,0.01699894],"genre_scores_gemma":[0.9754414,0.002297325,0.01910344,0.0001112617,0.00001521685,0.0001049016,0.0002506398,0.0000398898,0.002635909],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001023812,"threshold_uncertainty_score":0.003424942,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06831791345016788,"score_gpt":0.3662408569296024,"score_spread":0.2979229434794345,"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."}}