{"id":"W2754507185","doi":"10.1016/j.bmcl.2017.09.026","title":"Discovery of potent antiviral (HSV-1) quinazolinones and initial structure-activity relationship studies","year":2017,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Quinazolinone synthesis and applications","field":"Chemistry","cited_by":26,"is_retracted":false,"has_abstract":false,"ca_institutions":"McMaster University Medical Centre; McMaster University","funders":"Natural Sciences and Engineering Research Council of Canada; Stanley Medical Research Institute","keywords":"Herpes simplex virus; Chemistry; Structure–activity relationship; HSL and HSV; Chemical synthesis; Virus; Toxicity; In vitro; Stereochemistry; Pharmacology; Combinatorial chemistry; Virology; Biochemistry; Organic chemistry; Biology","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001434246,0.0002835688,0.0004440475,0.00002455325,0.0004689999,0.00007163337,0.0004015276,0.0001512927,0.00006260877],"category_scores_gemma":[0.0005144589,0.0002502323,0.00009153342,0.00005049635,0.0009567138,0.0002640665,0.0002105198,0.0003235385,0.000002692918],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007403393,"about_ca_system_score_gemma":0.00006376428,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00007057286,"about_ca_topic_score_gemma":0.00000724045,"domain_scores_codex":[0.9985662,0.00001539019,0.0003557561,0.000446981,0.0003283619,0.0002873241],"domain_scores_gemma":[0.9983575,0.0001870301,0.0005068394,0.0008020031,0.00006430338,0.00008231539],"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":[0.00005121855,0.00005443093,0.0140777,0.0004274667,0.0001005221,0.00001588143,0.0001825856,2.42385e-7,0.9828459,0.00007558688,0.0001738386,0.001994636],"study_design_scores_gemma":[0.0005352157,0.000008742549,0.04555338,0.0001904845,0.0001401996,0.00004441256,0.000449563,0.00001140331,0.9524887,0.0002038538,0.0001206055,0.000253408],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9939657,0.000408024,0.00007010368,0.003991763,0.00008696304,0.00006821366,0.0001147984,0.00003960964,0.00125477],"genre_scores_gemma":[0.9989023,0.00009956214,0.0001053127,0.0000705169,0.0006243295,0.00001220762,0.00002041331,0.00002795658,0.0001373903],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.03147568,"threshold_uncertainty_score":0.999995,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03927135312393834,"score_gpt":0.3076443799191132,"score_spread":0.2683730267951748,"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."}}