{"id":"W2064593501","doi":"10.1016/j.bmcl.2006.08.056","title":"Structure-based design of a novel thiazolone scaffold as HCV NS5B polymerase allosteric inhibitors","year":2006,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":53,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Valeant Pharmaceuticals International","keywords":"Chemistry; Allosteric regulation; NS5B; Scaffold; Stereochemistry; Potency; Structure–activity relationship; Combinatorial chemistry; Enzyme; Computational biology; Pharmacology; In vitro; Biochemistry; Hepacivirus; Biomedical engineering","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow","insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0003487109,0.0004208027,0.0006736279,0.0001719994,0.00008969829,0.00002297371,0.0003465259,0.0002895817,0.001321117],"category_scores_gemma":[0.0003587718,0.000389683,0.0001569411,0.0006989457,0.0005378232,0.00007075081,0.00008191195,0.0005296676,0.00003481156],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.000326006,"about_ca_system_score_gemma":0.0007149865,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0008648807,"about_ca_topic_score_gemma":0.000005896395,"domain_scores_codex":[0.996432,0.0000645683,0.0007392097,0.0006170452,0.001428385,0.0007188119],"domain_scores_gemma":[0.9982893,0.000184789,0.0002668511,0.0006924426,0.0001618009,0.0004048145],"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":[0.0004543277,0.000286115,0.003638657,0.000435543,0.00008561812,0.0003552665,0.00005771873,0.00002104912,0.9880254,0.000002869318,0.005766611,0.0008708609],"study_design_scores_gemma":[0.004515537,0.0002031385,0.002164928,0.0003917736,0.0001696826,0.0001792186,0.00004698912,0.0003441461,0.990842,0.000005548037,0.0008105142,0.0003265491],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9859726,0.000523761,0.002349796,0.009684374,0.000152048,0.0005487353,0.00006044493,0.0001142965,0.0005939792],"genre_scores_gemma":[0.9935588,0.00001323375,0.001819028,0.003235009,0.0009351855,0.00001865951,0.0001603566,0.00008906144,0.0001706125],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.007586287,"threshold_uncertainty_score":0.9998555,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01929371868895014,"score_gpt":0.2618477527100557,"score_spread":0.2425540340211056,"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."}}