{"id":"W4402786738","doi":"10.1002/cmdc.202400598","title":"Synthesis and Structure‐Activity Relationship Analysis of 2‐Substituted‐1,2,4‐Triazolo[1,5‐a]Pyrimidin‐7‐Ones and their 6‐Carboxylate Derivatives as Xanthine Oxidase Inhibitors","year":2024,"lang":"en","type":"article","venue":"ChemMedChem","topic":"Gout, Hyperuricemia, Uric Acid","field":"Medicine","cited_by":3,"is_retracted":false,"has_abstract":true,"ca_institutions":"Bentley (Canada)","funders":"","keywords":"Xanthine oxidase; Chemistry; Carboxylate; Stereochemistry; Xanthine; Combinatorial chemistry; Biochemistry; Enzyme","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":[0.0003607181,0.0003908184,0.0008840414,0.000653495,0.0001148905,0.0000539919,0.00009940549,0.0003046051,0.0001178341],"category_scores_gemma":[0.001573359,0.0002978188,0.0002079519,0.001744861,0.0004516231,0.0002725685,0.0001211779,0.0004645716,0.00000435706],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00009399466,"about_ca_system_score_gemma":0.0001292155,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0001079693,"about_ca_topic_score_gemma":0.00001557737,"domain_scores_codex":[0.9982162,0.00007149074,0.0004403932,0.0006597348,0.0003054751,0.0003067015],"domain_scores_gemma":[0.997645,0.001358457,0.0001690807,0.0004763826,0.0001019184,0.0002491903],"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":[0.0002192901,0.0001267959,0.0546423,0.0008327213,0.004262179,0.00007303079,0.004462681,0.00002053958,0.9281516,0.0007326897,0.0001450683,0.006331066],"study_design_scores_gemma":[0.0003851233,0.00004303767,0.1385114,0.0002207164,0.003164495,0.00008627724,0.0005918624,0.001623722,0.8544711,0.0005521533,0.00009663522,0.0002534121],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9927181,0.004242985,0.0001552148,0.001404297,0.0001273133,0.0003076192,0.00008089386,0.0001629821,0.0008005676],"genre_scores_gemma":[0.9988278,0.0002122487,0.0005365572,0.00005335889,0.0001393622,0.00002327484,0.00004317372,0.00004522457,0.0001190114],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.08386913,"threshold_uncertainty_score":0.9999474,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.021575005237253,"score_gpt":0.2706013801620809,"score_spread":0.2490263749248279,"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."}}