{"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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000703123,0.0001191855,0.000252417,0.0002403884,0.00006026282,0.00001170944,0.000229327,0.00007814223,0.000004205893],"category_scores_gemma":[0.0004835231,0.00008036073,0.0001482589,0.00068975,0.0002071966,0.00003715301,0.0001333553,0.0001622779,0.00003309271],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000328067,"about_ca_system_score_gemma":0.0004124857,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.001182335,"about_ca_topic_score_gemma":0.00008017277,"domain_scores_codex":[0.9986792,0.00003908907,0.0002860993,0.0002174642,0.000439691,0.0003385186],"domain_scores_gemma":[0.9988855,0.0004222214,0.00006292589,0.0004168255,0.0001901947,0.00002238868],"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":[0.0004554272,0.0002070442,0.007636648,0.0004244892,0.00007991819,0.00001260573,0.0002932997,0.000001525684,0.986424,0.0002831643,0.002196766,0.001985087],"study_design_scores_gemma":[0.001589221,0.0003603134,0.001109831,0.0001118075,0.00003419826,0.000004003043,0.0003829348,0.0006791874,0.9718028,0.00004381431,0.02380741,0.00007443376],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969566,0.0002114751,0.0004290633,0.0004244756,0.00006422708,0.001469425,0.0001042092,0.00005244448,0.0002880278],"genre_scores_gemma":[0.9872016,0.000008352013,0.0003329576,0.01187688,0.0001777733,0.0002991529,0.00000345654,0.00005147309,0.00004833934],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02161064,"threshold_uncertainty_score":0.3277015,"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."}}