{"id":"W2312665310","doi":"10.1021/jm401933c","title":"2-Hexylthio-β,γ-CH<sub>2</sub>-ATP is an Effective and Selective NTPDase2 Inhibitor","year":2014,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":10,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; Centre hospitalier universitaire de Québec","funders":"Canadian Institutes of Health Research","keywords":"Chemistry; Nucleotide; Stereochemistry; Moiety; Docking (animal); ATP hydrolysis; Nucleoside; Selectivity; Affinities; Nucleoside triphosphate; Adenosine triphosphate; Biochemistry; Combinatorial chemistry; Enzyme","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00007296343,0.0002526026,0.0002853011,0.00007589998,0.0001135404,0.000154888,0.0001762969,0.0002204501,0.001322782],"category_scores_gemma":[0.00008742551,0.0001201062,0.000120122,0.0001231147,0.0001205004,0.0001423718,0.0001344454,0.0003577043,0.0004084274],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001446867,"about_ca_system_score_gemma":0.000121412,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004514797,"about_ca_topic_score_gemma":0.0008888134,"domain_scores_codex":[0.9999306,0.00001432424,0.000005903509,0.00001643919,0.00002219277,0.00001046703],"domain_scores_gemma":[0.9999629,0.0000098119,0.00001163988,0.000004067033,0.000003946226,0.000007527048],"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":[0.0002467686,0.00005312088,0.0002582492,0.0001748879,0.00002413905,0.0001768374,0.00001909343,0.001309289,0.9847761,0.0003753772,0.0002529409,0.0123332],"study_design_scores_gemma":[0.00008275587,0.0009972792,0.002303551,0.00001347387,0.00002941289,0.001135957,0.00002069226,0.00317048,0.9749381,0.0001733727,0.01712124,0.00001364667],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9437192,0.01633899,0.024387,0.0003295589,0.00009564893,0.0001608192,0.0007803966,0.0003191381,0.01386927],"genre_scores_gemma":[0.9826316,0.004224959,0.00863214,0.0001233265,0.00001953643,0.00009050344,0.0006725712,0.00002570044,0.003579702],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001322782,"threshold_uncertainty_score":0.004425108,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.004377360778996385,"score_gpt":0.2304010491349665,"score_spread":0.2260236883559701,"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."}}