{"id":"W3096218215","doi":"10.1021/acsmedchemlett.0c00343","title":"Synthesis, Characterization, and <i>In Silico</i> Studies of Novel Spirooxindole Derivatives as Ecto-5′-Nucleotidase Inhibitors","year":2020,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Adenosine and Purinergic Signaling","field":"Biochemistry, Genetics and Molecular Biology","cited_by":18,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval; Centre hospitalier universitaire de Québec","funders":"Higher Education Commision, Pakistan; Crohn's and Colitis Canada; Bahauddin Zakariya University","keywords":"In silico; 5'-nucleotidase; Chemistry; Small molecule; Nucleotidase; Enzyme; Biochemistry; IC50; Adenosine; Nucleoside; Isozyme; 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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00009467854,0.0001695378,0.0002433994,0.00001698966,0.00003555866,0.000006638023,0.0001173967,0.00007368994,0.00001177015],"category_scores_gemma":[0.0004071372,0.0001589221,0.00003634509,0.0001129543,0.0002085276,0.000007423018,0.00009269688,0.00009845076,6.942953e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000008006276,"about_ca_system_score_gemma":0.00003125895,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000007500088,"about_ca_topic_score_gemma":2.826484e-7,"domain_scores_codex":[0.9990816,0.00001952781,0.0002780667,0.0003104804,0.0001449203,0.0001654217],"domain_scores_gemma":[0.9995555,0.00004668888,0.0001310922,0.0001269115,0.0000462195,0.00009359637],"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":[0.00009829554,0.00003431732,0.003969511,0.0002164337,0.00005705066,0.00001468734,0.0003880058,0.00002679551,0.9940711,0.000001118216,0.0009749386,0.0001478066],"study_design_scores_gemma":[0.0005839189,0.00004605966,0.001089254,0.0001327614,0.00002705392,0.00001981077,0.0006272742,0.0000158388,0.996074,0.000001080289,0.001226809,0.0001561092],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.991842,0.001263617,0.0002455642,0.00647653,0.00002597954,0.00007825864,0.00001161816,0.000008570739,0.00004785304],"genre_scores_gemma":[0.9961613,0.0002432209,0.00009471652,0.002995327,0.0004104905,0.00001191616,0.00004879729,0.00001738584,0.00001684723],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004319289,"threshold_uncertainty_score":0.6480656,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01890494076105886,"score_gpt":0.2554063692502058,"score_spread":0.236501428489147,"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."}}