{"id":"W3080098462","doi":"10.3389/fphar.2020.01282","title":"Development of Anthraquinone Derivatives as Ectonucleoside Triphosphate Diphosphohydrolase (NTPDase) Inhibitors With Selectivity for NTPDase2 and NTPDase3","year":2020,"lang":"en","type":"article","venue":"Frontiers in Pharmacology","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":17,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"Crohn's and Colitis Canada","keywords":"Chemistry; Anthraquinones; Anthraquinone; Context (archaeology); IC50; Sulfonate; Stereochemistry; Biochemistry; Sodium; Biology; Organic chemistry; In vitro","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":[0.0002779014,0.0007442584,0.000535228,0.000340388,0.0001531788,0.0002697815,0.0004466178,0.0004064065,0.001159597],"category_scores_gemma":[0.000169038,0.000277007,0.0002462587,0.0002477995,0.0002060096,0.000297693,0.0001817947,0.0006461814,0.0004449335],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003391058,"about_ca_system_score_gemma":0.0002081338,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004502267,"about_ca_topic_score_gemma":0.001100215,"domain_scores_codex":[0.9998528,0.00003069373,0.00001427109,0.00003674893,0.00003786365,0.00002757759],"domain_scores_gemma":[0.9998744,0.00002407707,0.00002978309,0.00001035206,0.00002273564,0.0000386487],"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":[0.0002313896,0.0001851185,0.000105396,0.0001307625,0.00001337215,0.00008798024,0.00002915176,0.0005261666,0.9913315,0.0001593592,0.0001340597,0.007065775],"study_design_scores_gemma":[0.000350057,0.003459394,0.001498481,0.00001836578,0.00005327091,0.0004516281,0.00001682605,0.002212218,0.9813076,0.00006576153,0.01054615,0.00002030248],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9441689,0.02967422,0.0159422,0.000394789,0.0002183719,0.0006768554,0.0008557577,0.0005280286,0.007540851],"genre_scores_gemma":[0.9680884,0.01151126,0.01384512,0.0001620501,0.00005802525,0.0002262524,0.001153132,0.00004183126,0.00491381],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001159597,"threshold_uncertainty_score":0.003879249,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.00914330311445987,"score_gpt":0.2530042391678484,"score_spread":0.2438609360533885,"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."}}