{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002957802,0.0002772673,0.0002808277,0.0001225833,0.0001096861,0.0001790986,0.000274041,0.0002212046,0.001064429],"category_scores_gemma":[0.0001796335,0.0001064927,0.0002514413,0.0001510715,0.0001230801,0.0001673536,0.0001093232,0.0002691284,0.0004220174],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001946072,"about_ca_system_score_gemma":0.0001742541,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003765966,"about_ca_topic_score_gemma":0.0006913257,"domain_scores_codex":[0.9999046,0.00002396424,0.000008222076,0.00001662551,0.00002417891,0.00002238488],"domain_scores_gemma":[0.9999387,0.00001174296,0.00002121657,0.000005720134,0.00001137802,0.00001124103],"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":[0.0002160448,0.000180821,0.0002406284,0.0002244247,0.00001889167,0.0001979542,0.00004865733,0.002190951,0.9905481,0.0004414246,0.0002114027,0.005480667],"study_design_scores_gemma":[0.00009615277,0.003109136,0.001200092,0.00001971495,0.00003555459,0.000327966,0.0000308625,0.003250743,0.986323,0.0001233994,0.005462096,0.00002131889],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9791701,0.003682942,0.01075407,0.0001770128,0.00004274059,0.0002343002,0.00105143,0.00008034937,0.004807177],"genre_scores_gemma":[0.9868216,0.002792849,0.007360518,0.00007886481,0.00001370788,0.00005951507,0.0007650995,0.00001167292,0.002096041],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001064429,"threshold_uncertainty_score":0.003560841,"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."}}