{"id":"W4234949331","doi":"10.26434/chemrxiv.13087742.v1","title":"Design, Synthesis and Biological Evaluation of Novel SARS-CoV-2 3CLpro Covalent Inhibitors","year":2020,"lang":"en","type":"preprint","venue":"ChemRxiv","topic":"Click Chemistry and Applications","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":true,"ca_institutions":"McGill University","funders":"Canadian Institutes of Health Research; McGill University","keywords":"Covalent bond; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Coronavirus; Virology; Coronavirus disease 2019 (COVID-19); Viral replication; Chemistry; Enzyme; Virus; Pharmacology; Biology; Biochemistry; Medicine; Infectious disease (medical specialty)","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":[0.0004937989,0.0003298608,0.000468967,0.00002552926,0.00006313126,0.00003273374,0.0003392235,0.0005965432,0.0001855104],"category_scores_gemma":[0.0008424027,0.0003198804,0.000158288,0.0001031296,0.000212609,0.0000225903,0.0004977421,0.000470207,0.00000832786],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001018325,"about_ca_system_score_gemma":0.0001753403,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000011814,"about_ca_topic_score_gemma":3.297872e-7,"domain_scores_codex":[0.9981327,0.00003064645,0.000511485,0.0007576517,0.0003770359,0.0001904606],"domain_scores_gemma":[0.9983828,0.0003302438,0.0003998141,0.0005903736,0.0002182928,0.00007844504],"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":[0.00002766655,0.0002229995,0.0001654846,0.0005801945,0.00009105817,7.021711e-7,0.00009603043,0.00006291988,0.9962571,0.00005544847,0.0006361433,0.001804287],"study_design_scores_gemma":[0.000372126,0.000005582053,0.00006709189,0.0002277294,0.0002636305,0.000004862818,0.0000541325,0.004068858,0.9924062,0.001738672,0.0004825448,0.0003085783],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9934685,0.0004272044,0.001896126,0.0006643719,0.00004616121,0.0003289705,0.00005128021,0.0001034397,0.003013971],"genre_scores_gemma":[0.9966125,0.0001356856,0.002183035,0.00004234344,0.0002526967,0.0005970905,0.0001268572,0.00002862683,0.00002109672],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004005939,"threshold_uncertainty_score":0.9999253,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.2375381441403763,"score_gpt":0.3519239569772286,"score_spread":0.1143858128368523,"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."}}