{"id":"W4205473916","doi":"10.26434/chemrxiv.13087742.v2","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; McGill University","keywords":"Covalent bond; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Coronavirus disease 2019 (COVID-19); Virology; Coronavirus; Viral replication; 2019-20 coronavirus outbreak; Drug development; Pandemic; Function (biology); Chemistry; Biology; Outbreak; Virus; Pharmacology; Medicine; Drug; Genetics","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":[0.0004501857,0.0006664383,0.0003260753,0.0002043923,0.0001873778,0.0003290824,0.0004300312,0.0003830936,0.002027585],"category_scores_gemma":[0.0002350464,0.0001858226,0.000373846,0.0002056083,0.0002156597,0.0002841127,0.000286908,0.0005377313,0.0005988934],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003513515,"about_ca_system_score_gemma":0.0003081841,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004996331,"about_ca_topic_score_gemma":0.0009456,"domain_scores_codex":[0.9997855,0.00003741173,0.00001887639,0.00004012001,0.00006346542,0.0000546134],"domain_scores_gemma":[0.9999186,0.00001087767,0.00002298016,0.000009950852,0.000017357,0.00002014111],"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":[0.0002546017,0.0002337101,0.0001207606,0.00027516,0.00003077649,0.0002049944,0.00007163532,0.002650912,0.9873626,0.0009312883,0.0004611631,0.007402405],"study_design_scores_gemma":[0.00008965546,0.001478972,0.0003009379,0.00001093321,0.00002245462,0.0001240183,0.00001569189,0.001456263,0.989753,0.00008126947,0.006653599,0.00001318582],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9343381,0.005431826,0.04216954,0.0003288007,0.0001774797,0.001329717,0.001798542,0.0004614173,0.01396464],"genre_scores_gemma":[0.9677977,0.00423015,0.01721266,0.0001718628,0.00003185841,0.0003716342,0.001192177,0.00006028047,0.008931803],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002027585,"threshold_uncertainty_score":0.006782889,"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."}}