{"id":"W2773068270","doi":"10.1080/17460441.2018.1418319","title":"Binding modes of hERG blockers: an unsolved mystery in the drug design arena","year":2017,"lang":"en","type":"editorial","venue":"Expert Opinion on Drug Discovery","topic":"Cardiac electrophysiology and arrhythmias","field":"Medicine","cited_by":31,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"Natural Sciences and Engineering Research Council of Canada","keywords":"hERG; Cardiotoxicity; Drug; Pharmacology; Ion channel; Medicine; Potassium channel blocker; Chemistry; Potassium channel; Internal medicine; Toxicity; Receptor","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":[0.0008660219,0.0005588277,0.001180375,0.0003234298,0.0002334297,0.000116053,0.0005975996,0.0006079233,0.00001643205],"category_scores_gemma":[0.0005065106,0.0003847014,0.0004713483,0.0001393452,0.0002734048,0.0004401856,0.00009869272,0.001304085,0.00002150026],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001810253,"about_ca_system_score_gemma":0.0007403506,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002289369,"about_ca_topic_score_gemma":0.00001754411,"domain_scores_codex":[0.9965264,0.0006993201,0.0005885444,0.0007812767,0.0008868336,0.0005176225],"domain_scores_gemma":[0.9964188,0.001368631,0.0004994014,0.001521378,0.00009717594,0.00009455809],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"not_applicable","study_design_gemma":"not_applicable","study_design_scores_codex":[0.002115708,0.000358911,0.00001209402,0.0001208982,0.0001702467,0.0002095606,0.002459125,0.0001921622,0.002067718,0.00005667401,0.9914519,0.0007850427],"study_design_scores_gemma":[0.008980948,0.00260481,0.0002438968,0.01092664,0.0001511462,0.0001124157,0.006375732,0.0005215731,0.0262273,0.0005113814,0.9411558,0.002188366],"study_design_candidate":"not_applicable","study_design_consensus":"not_applicable","genre_codex":"editorial","genre_gemma":"editorial","genre_scores_codex":[0.09065989,0.009876444,0.00008917358,0.002098815,0.8932427,0.002146555,0.0003189803,0.0001204994,0.001446933],"genre_scores_gemma":[0.2595343,0.008914012,0.0001514771,0.0003805612,0.7260985,0.0002886016,0.001881057,0.0001495908,0.00260191],"genre_candidate":"editorial","genre_consensus":"editorial","teacher_disagreement_score":0.1688744,"threshold_uncertainty_score":0.9998605,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02768745222259883,"score_gpt":0.3252680302247338,"score_spread":0.2975805780021349,"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."}}