{"id":"W4230874773","doi":"10.26434/chemrxiv-2021-5twk7-v3","title":"Design, Synthesis and Biological Evaluation of Novel SARS-CoV-2 3CLpro Covalent Inhibitors","year":2021,"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","keywords":"Covalent bond; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Coronavirus; Virology; Coronavirus disease 2019 (COVID-19); Viral replication; Function (biology); Protease; Enzyme; Chemistry; Biology; Virus; Biochemistry; Medicine; Cell biology; Infectious disease (medical specialty); Disease","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":[0.0004523214,0.0006584348,0.0003530224,0.0002164724,0.000189332,0.000338046,0.0004299739,0.0003859622,0.002039861],"category_scores_gemma":[0.000235828,0.0001964406,0.0004018302,0.0002204459,0.0002131286,0.0002784878,0.0002901025,0.0005541185,0.0006245959],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003690745,"about_ca_system_score_gemma":0.0003206118,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0005448704,"about_ca_topic_score_gemma":0.001087917,"domain_scores_codex":[0.9997844,0.00003750335,0.00001968273,0.00004031419,0.00006300487,0.00005502168],"domain_scores_gemma":[0.9999192,0.00001078474,0.00002202467,0.000009974441,0.00001698058,0.00002109534],"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":[0.0002574969,0.000236424,0.000120683,0.0003013934,0.00003389702,0.000212885,0.00007298784,0.002855934,0.9862514,0.0009482773,0.0005115994,0.008196953],"study_design_scores_gemma":[0.0001013842,0.00169562,0.0003540589,0.00001340251,0.00002585765,0.0001438231,0.00001616266,0.001659763,0.9881381,0.00009254137,0.007743319,0.0000158663],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9325823,0.006242423,0.04157753,0.0003556382,0.0001912122,0.001466038,0.002053172,0.0005183559,0.01501324],"genre_scores_gemma":[0.9661199,0.004832458,0.0180104,0.0001867199,0.00003268377,0.0003854703,0.00132689,0.00006442899,0.00904099],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002039861,"threshold_uncertainty_score":0.006823957,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1922726830562625,"score_gpt":0.3468705303344797,"score_spread":0.1545978472782171,"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."}}