{"id":"W4321373143","doi":"10.3390/v15020580","title":"Search of Novel Small Molecule Inhibitors for the Main Protease of SARS-CoV-2","year":2023,"lang":"en","type":"article","venue":"Viruses","topic":"SARS-CoV-2 and COVID-19 Research","field":"Medicine","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"Université Laval","funders":"","keywords":"Protease; In vivo; Chemistry; IC50; Pharmacology; Coronavirus; Virology; Coronavirus disease 2019 (COVID-19); In vitro; Enzyme; Biology; Biochemistry; Medicine; Infectious disease (medical specialty); Disease; Internal medicine","routes":{"ca_aff":true,"ca_fund":false,"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":[0.0002386762,0.0006729093,0.0009802791,0.0005061301,0.000155467,0.0004717359,0.0005665789,0.0003628672,0.00153715],"category_scores_gemma":[0.0001542095,0.0002152162,0.000610601,0.0002698679,0.0001746359,0.0003741671,0.0002289123,0.000588769,0.0004245757],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0005149588,"about_ca_system_score_gemma":0.0003687828,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007157844,"about_ca_topic_score_gemma":0.001469704,"domain_scores_codex":[0.999903,0.00001257126,0.00000528271,0.0000248112,0.00003088675,0.00002353679],"domain_scores_gemma":[0.9999504,0.000008287392,0.00001653135,0.00000241043,0.000009299239,0.00001308049],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.00208728,0.001244006,0.001912851,0.002003473,0.0005466708,0.001235978,0.00009344971,0.01122303,0.8474262,0.002659312,0.003226339,0.1263414],"study_design_scores_gemma":[0.00403973,0.02076605,0.01209523,0.000452291,0.00198012,0.005083583,0.0001639769,0.05320475,0.7600865,0.001217669,0.1407154,0.0001947679],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.792065,0.1732915,0.02182451,0.001042718,0.0003019665,0.0005809789,0.001245016,0.0006672273,0.008980986],"genre_scores_gemma":[0.9234286,0.05529151,0.01133065,0.0009330126,0.00009817506,0.0003245329,0.002286186,0.0000341766,0.006273208],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.00153715,"threshold_uncertainty_score":0.005142272,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1752307974489445,"score_gpt":0.4039058889005162,"score_spread":0.2286750914515717,"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."}}