{"id":"W2899716776","doi":"10.1021/acsmedchemlett.8b00379","title":"Structure–Property Basis for Solving Transporter-Mediated Efflux and Pan-Genotypic Inhibition in HCV NS5B Inhibitors","year":2018,"lang":"en","type":"article","venue":"ACS Medicinal Chemistry Letters","topic":"Hepatitis C virus research","field":"Medicine","cited_by":4,"is_retracted":false,"has_abstract":true,"ca_institutions":"","funders":"National Research Council Canada; Western Economic Diversification Canada; Natural Sciences and Engineering Research Council of Canada; Canadian Institutes of Health Research; University of Saskatchewan; Canadian Light Source","keywords":"NS5B; Chemistry; Hydrogen bond; Stereochemistry; Small molecule; Docking (animal); Combinatorial chemistry; Molecule; Biochemistry; Genotype; Hepacivirus; Organic chemistry","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002712891,0.0005105204,0.0004203011,0.000187487,0.0001478107,0.0004195127,0.0003269799,0.0002449467,0.001478119],"category_scores_gemma":[0.000175561,0.000210665,0.0002890906,0.0001985985,0.0002565745,0.0004153021,0.0003223757,0.0004824189,0.0003486333],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003982594,"about_ca_system_score_gemma":0.0002413665,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004952276,"about_ca_topic_score_gemma":0.0009682531,"domain_scores_codex":[0.9999404,0.00001226393,0.000005158915,0.000009284603,0.00001880876,0.00001410087],"domain_scores_gemma":[0.9999596,0.000008633216,0.00001088549,0.000005629615,0.000009587317,0.000005787141],"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":[0.0002795075,0.0002834922,0.0008715684,0.0003727302,0.0000548866,0.0003654941,0.00004083535,0.05438562,0.8742529,0.02171696,0.000946537,0.0464294],"study_design_scores_gemma":[0.0002237884,0.004236875,0.004489084,0.00006047043,0.0001640499,0.0008019026,0.00007023509,0.3842356,0.5494252,0.01429454,0.04191528,0.0000829702],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.7653286,0.01383891,0.1933542,0.001305239,0.0001102973,0.0005262281,0.0005845579,0.0006935031,0.02425843],"genre_scores_gemma":[0.9583528,0.005163265,0.03334516,0.0002069215,0.00004388562,0.0001447062,0.0003741582,0.0000339592,0.00233515],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001478119,"threshold_uncertainty_score":0.004944742,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01648121779874485,"score_gpt":0.2694492831351992,"score_spread":0.2529680653364544,"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."}}