{"id":"W4414239304","doi":"10.1021/acsmedchemlett.5c00237","title":"Quinazolinones as Bioisosteres of Naphthoquinones: A Path to Potent <i>Hs</i> DHODH Inhibitors with Optimized Properties","year":2025,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"Artificial Intelligence in Medicine (Canada)","funders":"National Institutes of Health; National Institute on Aging; Fundação Oswaldo Cruz; Conselho Nacional de Desenvolvimento Científico e Tecnológico; Universidade Federal de Goiás; Fundação de Amparo à Pesquisa do Estado de Goiás; Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; Fundação de Amparo à Pesquisa do Estado de São Paulo","keywords":"Dihydroorotate dehydrogenase; Pyrimidine; Cytotoxicity; Potency; Pyrimidine metabolism; Enzyme; Drug discovery","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":[0.000186301,0.0004278455,0.0006090428,0.00008323081,0.0001501769,0.00004013768,0.0005619018,0.0001622147,0.0002470036],"category_scores_gemma":[0.0001269399,0.0003259825,0.0001385183,0.0004025318,0.0003757564,0.00007744198,0.0001641036,0.000291326,0.00002296781],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001022692,"about_ca_system_score_gemma":0.0001892561,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002284266,"about_ca_topic_score_gemma":0.000002654076,"domain_scores_codex":[0.9976591,0.00002072615,0.0006531461,0.0006341997,0.0005462026,0.0004866248],"domain_scores_gemma":[0.9984409,0.0001267377,0.0002534647,0.0007860617,0.0001726832,0.000220186],"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":[0.0004123535,0.0002145892,0.0003493793,0.001095434,0.000149001,0.00003481596,0.0004975192,0.00006146653,0.991443,0.00003682315,0.003577835,0.002127805],"study_design_scores_gemma":[0.001108146,0.00003506675,0.00004550232,0.001800192,0.0001684113,0.00005768223,0.001736137,0.00002104522,0.990035,0.00001679144,0.004614871,0.0003611629],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9756714,0.0004549543,0.0003331364,0.01348288,0.00005529288,0.0002423748,0.00002791483,0.0001212739,0.009610782],"genre_scores_gemma":[0.9950517,0.00005838121,0.001259788,0.001779145,0.0002475368,0.0002682361,0.00002975454,0.00004345413,0.001262038],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01938028,"threshold_uncertainty_score":0.9999192,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.007830205489073637,"score_gpt":0.2237219968968341,"score_spread":0.2158917914077604,"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."}}