{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.000805375,0.000378437,0.0004879825,0.00008123432,0.0001399096,0.0000479635,0.0003116749,0.0002593483,0.0001477949],"category_scores_gemma":[0.00071068,0.0002571815,0.0001329415,0.0002172068,0.0001597648,0.00002125759,0.00006762665,0.0004094368,0.000002571157],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00006049119,"about_ca_system_score_gemma":0.0003370633,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002569096,"about_ca_topic_score_gemma":0.000003298027,"domain_scores_codex":[0.9978493,0.0001036657,0.0006735743,0.0004298239,0.0005613423,0.0003822207],"domain_scores_gemma":[0.9981303,0.0001452855,0.0005553357,0.0003387975,0.0003210558,0.0005092223],"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":[0.01772701,0.0008919123,0.003964366,0.0004917225,0.000354517,0.001073256,0.0002326317,0.002438241,0.9027141,0.00001107815,0.05648768,0.01361345],"study_design_scores_gemma":[0.00392245,0.004586616,0.0008336698,0.0004161836,0.0001746163,0.0005437642,0.0002300141,0.0006265518,0.9694856,0.00002285069,0.01876135,0.0003963144],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9940454,0.003573832,0.0009893373,0.0006192442,0.0003153099,0.0001226987,0.00001972891,0.00001530966,0.0002991301],"genre_scores_gemma":[0.9943909,0.0004571074,0.001299165,0.001415206,0.001855119,0.000005054404,0.00004793835,0.00005104038,0.0004784681],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.06677148,"threshold_uncertainty_score":0.999988,"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."}}