{"id":"W2899409650","doi":"10.1002/cmdc.201800327","title":"Structure–Activity Relationships of Antiplasmodial Pantothenamide Analogues Reveal a New Way by Which Triazoles Mimic Amide Bonds","year":2018,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Neurological diseases and metabolism","field":"Neuroscience","cited_by":16,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Canadian Institutes of Health Research; China Scholarship Council; Australian Government; McGill University","keywords":"Amide; Bioisostere; Triazole; Chemistry; Ring (chemistry); Plasmodium falciparum; Stereochemistry; Amine gas treating; Linker; 1,2,3-Triazole; Combinatorial chemistry; Peptide bond; 1,2,4-Triazole; Malaria; Chemical synthesis; Amino acid; Biology; Biochemistry; Organic chemistry; In vitro; Computer science","routes":{"ca_aff":true,"ca_fund":true,"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":[0.0001488083,0.0002536691,0.0002447125,0.0002920954,0.00007059685,0.0001702353,0.0002220676,0.0002391762,0.001482331],"category_scores_gemma":[0.0001650903,0.00009167732,0.0001979032,0.0002540224,0.0001344712,0.0002037539,0.00008049702,0.0003210421,0.0003065893],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002159027,"about_ca_system_score_gemma":0.0001834526,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000729689,"about_ca_topic_score_gemma":0.002139608,"domain_scores_codex":[0.9999419,0.00001319746,0.000006264063,0.00000830979,0.00001288665,0.00001740585],"domain_scores_gemma":[0.9999193,0.00002034121,0.00002051682,0.000007460594,0.00001546467,0.00001687899],"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":[0.0003891929,0.0001987226,0.0004912223,0.00007145027,0.00001441606,0.0001155599,0.0000305588,0.000601833,0.9914829,0.0000755167,0.00007736121,0.006451363],"study_design_scores_gemma":[0.0001905774,0.01485704,0.01773858,0.00001904151,0.0001173453,0.0006369038,0.00004482296,0.002120818,0.9594853,0.0001252629,0.004645751,0.00001856856],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9927419,0.003211769,0.001031021,0.00007610903,0.00001144272,0.00007181984,0.000517914,0.00003528489,0.00230274],"genre_scores_gemma":[0.9940447,0.002218138,0.001627576,0.00004582053,0.000006962356,0.00003204263,0.0008992635,0.000004779885,0.001120634],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001482331,"threshold_uncertainty_score":0.004958928,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.05509411511531633,"score_gpt":0.2740249642657447,"score_spread":0.2189308491504283,"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."}}