{"id":"W4401113156","doi":"10.1021/jacsau.4c00508","title":"A Structural Comparison of Oral SARS-CoV-2 Drug Candidate Ibuzatrelvir Complexed with the Main Protease (M<sup>pro</sup>) of SARS-CoV-2 and MERS-CoV","year":2024,"lang":"en","type":"article","venue":"JACS Au","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":23,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Alberta","funders":"National Institute of General Medical Sciences; Canadian Institutes of Health Research; Canada Foundation for Innovation","keywords":"Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Drug; Proteases; Virology; Protease; Coronavirus disease 2019 (COVID-19); Medicine; Coronavirus; 2019-20 coronavirus outbreak; Pharmacology; Food and drug administration; Antiviral drug; Respiratory system; Drug candidate; Biology; Internal medicine; Enzyme; Outbreak","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.00008754581,0.0002941313,0.0003984164,0.000115595,0.0001941761,0.0002846563,0.0004027942,0.000329222,0.002633302],"category_scores_gemma":[0.0001794323,0.0001557814,0.0002833253,0.0001188813,0.0001356509,0.0002811454,0.0001221698,0.0005324328,0.0002800494],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003314679,"about_ca_system_score_gemma":0.0002414489,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001543864,"about_ca_topic_score_gemma":0.001344271,"domain_scores_codex":[0.9999014,0.00001311115,0.000004359653,0.00001590922,0.00004198313,0.00002315855],"domain_scores_gemma":[0.9999489,0.00001218194,0.00001229847,0.000003098135,0.000009880204,0.00001371496],"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":[0.001786141,0.0002496755,0.001190945,0.0001880649,0.00006972851,0.0004680661,0.00008050047,0.002627632,0.9848764,0.0005717543,0.0007511341,0.007140046],"study_design_scores_gemma":[0.0003725581,0.005087996,0.01561387,0.00002690912,0.0001990332,0.001899344,0.0002178715,0.02910308,0.9347172,0.0002160897,0.01249069,0.00005539018],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9925567,0.003006441,0.0009006776,0.0001371397,0.0000319521,0.00002525674,0.0004112373,0.00005117909,0.002879379],"genre_scores_gemma":[0.9934977,0.001259213,0.00172658,0.0001018142,0.00001571138,0.00001356343,0.001494104,0.00001844718,0.001872755],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002633302,"threshold_uncertainty_score":0.008809268,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06106114178068394,"score_gpt":0.3694876559868073,"score_spread":0.3084265142061233,"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."}}