{"id":"W2799893314","doi":"10.1021/acs.jmedchem.7b01906","title":"Highly Selective and Potent Ectonucleotide Pyrophosphatase-1 (NPP1) Inhibitors Based on Uridine 5′-P<sub>α,α</sub>-Dithiophosphate Analogues","year":2018,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université de Sherbrooke; Université Laval","funders":"Fonds de Recherche du Québec - Santé; Canadian Institutes of Health Research","keywords":"Chemistry; Pyrophosphatase; Uridine; Biochemistry; Stereochemistry; Enzyme; RNA; Gene","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004610661,0.0002761072,0.0003335999,0.00006484009,0.0001241738,0.0000239887,0.0002049175,0.0001933508,0.00002462695],"category_scores_gemma":[0.0002994974,0.0002242474,0.0001393195,0.0001610587,0.0002540653,0.00001001008,0.00005819621,0.0003637215,0.000004286724],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004666777,"about_ca_system_score_gemma":0.0002210518,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007902059,"about_ca_topic_score_gemma":9.576967e-7,"domain_scores_codex":[0.9983816,0.00004310376,0.000502139,0.0003189166,0.0004462691,0.0003079829],"domain_scores_gemma":[0.9985607,0.00004942373,0.0004604185,0.0002178107,0.000409337,0.000302262],"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":[0.000875116,0.0001060618,0.001146929,0.00006160093,0.0001055958,0.0001786017,0.00003624259,0.0001332525,0.953296,0.000001833163,0.04294252,0.001116246],"study_design_scores_gemma":[0.001537488,0.001593269,0.001139442,0.0002507424,0.0001075655,0.0002891212,0.0000915053,0.0001777891,0.9901007,0.00003550604,0.004444874,0.0002320449],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.994047,0.004068245,0.0002576955,0.0006859769,0.0002631107,0.00006706752,0.00001682553,0.00000932396,0.0005846816],"genre_scores_gemma":[0.9951562,0.0004090424,0.0002278223,0.000751215,0.003322645,0.000002350251,0.00004287195,0.0000318669,0.0000559821],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03849764,"threshold_uncertainty_score":0.9144542,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004924405440390825,"score_gpt":0.2164091379403143,"score_spread":0.2114847324999235,"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."}}