{"id":"W4205900102","doi":"10.3390/molecules27020564","title":"Nucleotide Analogues Bearing a C2′ or C3′-Stereogenic All-Carbon Quaternary Center as SARS-CoV-2 RdRp Inhibitors","year":2022,"lang":"en","type":"article","venue":"Molecules","topic":"RNA and protein synthesis mechanisms","field":"Biochemistry, Genetics and Molecular Biology","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Ottawa; Université de Montréal; Montreal Clinical Research Institute","funders":"Natural Sciences and Engineering Research Council of Canada; Emory University","keywords":"Stereocenter; Chemistry; Stereochemistry; Aldol reaction; Regioselectivity; Nucleotide; Enantioselective synthesis; Nucleoside; RNA-dependent RNA polymerase; RNA; Biochemistry; Catalysis; Gene","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":[0.0002238275,0.0002736263,0.000218688,0.00009379713,0.0001751184,0.00005363177,0.0004255279,0.0001090625,0.00008006465],"category_scores_gemma":[0.00003591398,0.00025579,0.0001901228,0.00009918107,0.00004919503,0.000005548036,0.0005882927,0.0001534671,0.00003339316],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00003662566,"about_ca_system_score_gemma":0.00006355347,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003153762,"about_ca_topic_score_gemma":0.00008376493,"domain_scores_codex":[0.9981771,0.0002274019,0.000304143,0.0005717793,0.0002962424,0.0004233808],"domain_scores_gemma":[0.9992672,0.00001221702,0.0001275168,0.0004933673,0.00002636435,0.00007332382],"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":[0.0002991462,0.0001033158,0.0007610269,0.00001666369,0.0001451515,0.0001381813,0.0001270389,0.00002005675,0.9949673,0.00005157042,0.0008019673,0.002568587],"study_design_scores_gemma":[0.0004597627,0.0005809066,0.00008051989,0.00001917928,0.00003302196,0.0001095974,0.0001722362,0.00007339224,0.9457958,0.0003098552,0.05202306,0.0003426521],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9958947,0.0006449223,0.0002500674,0.0003049237,0.000333912,0.0002890066,0.00003646264,0.00004663418,0.0021994],"genre_scores_gemma":[0.9961362,0.00009648719,0.0006736106,0.001669966,0.0001998283,0.0001252672,0.0001458283,0.00007422974,0.0008785118],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05122109,"threshold_uncertainty_score":0.9999894,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02536060325717576,"score_gpt":0.2668501712621683,"score_spread":0.2414895680049925,"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."}}