{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002511772,0.0001109705,0.0003711708,0.0001558544,0.0000358302,0.00001773187,0.00005159325,0.00006349906,0.0004749054],"category_scores_gemma":[0.0001160274,0.00008764306,0.0001502962,0.0001792126,0.00008222109,0.0002754407,0.00002412938,0.0003336737,0.000002106121],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007238489,"about_ca_system_score_gemma":0.00007468573,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000008227032,"about_ca_topic_score_gemma":6.735394e-7,"domain_scores_codex":[0.998821,0.00001070043,0.0005673911,0.0001131491,0.0003815614,0.0001061964],"domain_scores_gemma":[0.9988868,0.00005325235,0.000557486,0.0001206052,0.0002252385,0.0001566078],"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":[0.0001057544,0.0001800228,0.007411129,0.0003051363,0.0001043237,0.00003483101,0.0001182076,0.0002895456,0.9909868,0.000004227914,0.0003423628,0.0001176334],"study_design_scores_gemma":[0.006313198,0.0005036038,0.003871314,0.00969486,0.0006429931,0.003429414,0.003549601,0.001924581,0.9694852,0.00001007038,0.0003403045,0.0002348263],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9955539,0.0000920372,0.002070192,0.0004940224,0.00004638974,0.00004704568,0.000008213293,0.000005712611,0.001682502],"genre_scores_gemma":[0.9966471,0.00003040303,0.0009755727,0.00008997454,0.0004054848,5.289123e-7,0.00002682056,0.0000109017,0.001813255],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02150159,"threshold_uncertainty_score":0.5199882,"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."}}