{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0004748217,0.0006802982,0.0003570107,0.0002178815,0.0001976119,0.0003455168,0.000442801,0.0004151952,0.002044383],"category_scores_gemma":[0.0002464045,0.0001957226,0.0004021826,0.0002197136,0.0002268272,0.0002888481,0.0003097036,0.0005526301,0.0006087712],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003656081,"about_ca_system_score_gemma":0.000317685,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.000527921,"about_ca_topic_score_gemma":0.001009738,"domain_scores_codex":[0.9997674,0.00004073941,0.00002103437,0.00004302751,0.00006899028,0.00005884541],"domain_scores_gemma":[0.9999137,0.0000115564,0.00002382078,0.00001063696,0.00001832299,0.0000219517],"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":[0.0002558843,0.0002302332,0.0001262144,0.0002986759,0.00003443108,0.0002189482,0.00007784564,0.002768366,0.9870323,0.0009239336,0.000475793,0.007557251],"study_design_scores_gemma":[0.00009550778,0.001470371,0.0003315525,0.00001245016,0.00002423695,0.0001359577,0.00001638569,0.00151225,0.9891446,0.0000847655,0.007157246,0.00001465976],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9316953,0.006332642,0.04360237,0.0003375508,0.0001884297,0.001364626,0.001898259,0.0004893087,0.01409146],"genre_scores_gemma":[0.9671148,0.004620973,0.01776431,0.0001806982,0.00003299432,0.0003817607,0.001281116,0.00006426926,0.008559018],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002044383,"threshold_uncertainty_score":0.006839156,"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."}}