{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008126633,0.0002324572,0.0004749808,0.000182175,0.0001567771,0.0000733234,0.000169343,0.00009504788,0.0001334387],"category_scores_gemma":[0.0007703464,0.0002197012,0.00006891153,0.000650248,0.00007120526,0.0001604945,0.0002877052,0.000160081,0.00001780686],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001412543,"about_ca_system_score_gemma":0.0003109062,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002030497,"about_ca_topic_score_gemma":0.00005407229,"domain_scores_codex":[0.998153,0.00002998699,0.0004981001,0.0004936786,0.0004238976,0.000401288],"domain_scores_gemma":[0.9983506,0.0002508809,0.0001309257,0.0004242857,0.0004099298,0.0004333796],"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":[0.000107393,0.0003973688,0.002709892,0.0003167286,0.00009987706,0.00003098894,0.0004457488,0.00001461658,0.9921036,0.0009703126,0.0007190105,0.002084487],"study_design_scores_gemma":[0.000908837,0.00006487634,0.09384983,0.0001390763,0.00004575015,0.00001119074,0.0002753356,0.0006217326,0.889598,0.00002055847,0.01426685,0.000197975],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9521016,0.0006218298,0.02764681,0.0007948359,0.00007667584,0.0006219969,0.000108116,0.0000728637,0.01795529],"genre_scores_gemma":[0.9639445,0.0002978374,0.03290295,0.0003613538,0.00008296812,0.0001053801,0.0003023948,0.00003775612,0.001964838],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.1025056,"threshold_uncertainty_score":0.8959156,"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."}}