{"id":"W2585869073","doi":"10.1021/acsmedchemlett.6b00479","title":"Discovery of Novel Allosteric HCV NS5B Inhibitors. 2. Lactam-Containing Thiophene Carboxylates","year":2017,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":12,"is_retracted":false,"has_abstract":true,"ca_institutions":"Vertex Pharmaceuticals (Canada)","funders":"","keywords":"Allosteric regulation; NS5B; ADME; Replicon; Chemistry; Lactam; Potency; Stereochemistry; In vivo; Structure–activity relationship; In vitro; Hepatitis C virus; Biochemistry; Enzyme; Biology; Virus; Virology; Hepacivirus","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002522103,0.0004523697,0.0003092749,0.0002908582,0.0001163721,0.0003275094,0.0003402326,0.0002898968,0.001700107],"category_scores_gemma":[0.0001751559,0.0001901142,0.0002043284,0.0001630799,0.0001435348,0.0002401911,0.0002490579,0.000501757,0.0005846814],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003277799,"about_ca_system_score_gemma":0.0002182063,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003653198,"about_ca_topic_score_gemma":0.00123584,"domain_scores_codex":[0.9999328,0.00001278213,0.00000374235,0.00001218239,0.00001700932,0.00002157551],"domain_scores_gemma":[0.9999596,0.000005039361,0.000008893241,0.000003295515,0.000007740079,0.0000153696],"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":[0.000552326,0.0004996769,0.0005240673,0.000315264,0.00002491589,0.0004090824,0.0001256957,0.001730594,0.9327279,0.001893985,0.001245375,0.05995119],"study_design_scores_gemma":[0.001006994,0.008311707,0.005183647,0.00009344875,0.0001093829,0.001401949,0.0000568526,0.009619058,0.921736,0.0004958141,0.05192389,0.00006123249],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9460716,0.01695252,0.01690172,0.0008314963,0.0001555426,0.0007585418,0.001229591,0.0003947833,0.01670427],"genre_scores_gemma":[0.9618987,0.01292833,0.01583956,0.0005387529,0.00007846759,0.0002800172,0.001051323,0.0000381365,0.007346806],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001700107,"threshold_uncertainty_score":0.005687416,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03476099848875368,"score_gpt":0.3129571977529988,"score_spread":0.2781961992642451,"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."}}