{"id":"W2953797568","doi":"10.1021/acs.jmedchem.9b00757","title":"Novel Human Aminopeptidase N Inhibitors: Discovery and Optimization of Subsite Binding Interactions","year":2019,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Peptidase Inhibition and Analysis","field":"Medicine","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of British Columbia","funders":"National Health and Medical Research Council; Cooperative Research Centres, Australian Government Department of Industry; Monash University","keywords":"Chemistry; Hydroxamic acid; Matrix metalloproteinase inhibitor; Enzyme; Biochemistry; Aminopeptidase; In vitro; Cytotoxicity; Plasmodium falciparum; Stereochemistry; Pharmacology; Amino acid; Biology; Leucine","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":[0.0002641147,0.0005654476,0.000424854,0.0002072454,0.0001243426,0.0002656904,0.0004007264,0.0002295389,0.0008247886],"category_scores_gemma":[0.0001463214,0.000145233,0.0001982383,0.0001706798,0.0001453467,0.0002015331,0.0002213514,0.0004423416,0.0002227616],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003257742,"about_ca_system_score_gemma":0.000254633,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005046023,"about_ca_topic_score_gemma":0.001644283,"domain_scores_codex":[0.999896,0.00002208147,0.000008795749,0.00002085834,0.00002781442,0.00002440504],"domain_scores_gemma":[0.9999609,0.00000466615,0.00001211407,0.000002427078,0.000007049327,0.00001281997],"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":[0.0009316856,0.0006256815,0.0005773249,0.000309358,0.00005368694,0.000390573,0.00006384243,0.00458372,0.9514347,0.001150555,0.0005343634,0.03934462],"study_design_scores_gemma":[0.0009546163,0.007924099,0.002824141,0.00005388464,0.0001591192,0.001320071,0.00005013427,0.009398509,0.9506441,0.0002870843,0.02633808,0.00004605465],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9624594,0.0160138,0.01442538,0.0002692979,0.00006788046,0.0004325678,0.0004996085,0.0001503309,0.005681636],"genre_scores_gemma":[0.9722919,0.01181184,0.01189297,0.0001536832,0.0000308653,0.0001313177,0.0006017481,0.00001835506,0.003067313],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008247886,"threshold_uncertainty_score":0.002759159,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01273891835415529,"score_gpt":0.2781701391181408,"score_spread":0.2654312207639855,"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."}}