{"id":"W2061331632","doi":"10.1021/jm500196c","title":"Highly Potent and Selective Ectonucleotide Pyrophosphatase/Phosphodiesterase I Inhibitors Based on an Adenosine 5′-(α or γ)-Thio-(α,β- or β,γ)-methylenetriphosphate Scaffold","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":47,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; Centre hospitalier universitaire de Québec","funders":"National Institute of Dental and Craniofacial Research","keywords":"Phosphodiesterase; Chemistry; Pyrophosphatase; Thio-; Pharmacology; Biochemistry; Hydrolysis; Stereochemistry; Enzyme; 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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001562832,0.0005619352,0.0003809578,0.0001909907,0.0000772097,0.0002411937,0.0004598138,0.0003548221,0.0006904335],"category_scores_gemma":[0.0001218589,0.000171471,0.0002456654,0.0001670435,0.0001732114,0.0002081874,0.0001946824,0.0007815615,0.0004214369],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002783129,"about_ca_system_score_gemma":0.0001861931,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004749287,"about_ca_topic_score_gemma":0.00108859,"domain_scores_codex":[0.9999051,0.00001705112,0.000008085882,0.00002154274,0.00002250115,0.00002566284],"domain_scores_gemma":[0.9999478,0.000009231996,0.00001590381,0.000004980545,0.000006182507,0.00001594334],"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":[0.000257946,0.00009504356,0.00009437185,0.0001364967,0.00001190817,0.0001348923,0.00002692392,0.0007311384,0.98937,0.0003634886,0.0002168513,0.008560988],"study_design_scores_gemma":[0.0001608455,0.001469282,0.0009411009,0.00001297454,0.00002774092,0.0004896077,0.00001011951,0.0009971942,0.9861178,0.00007728095,0.009680483,0.00001557217],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9356385,0.02277998,0.02282098,0.0002489341,0.0002000696,0.0003805955,0.001450797,0.0004070488,0.0160731],"genre_scores_gemma":[0.9778653,0.005745879,0.01102253,0.0001725212,0.00003448408,0.0001866314,0.001208098,0.00002947041,0.00373503],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0006904335,"threshold_uncertainty_score":0.00230974,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.008357859494286392,"score_gpt":0.2493439195630778,"score_spread":0.2409860600687914,"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."}}