{"id":"W3185260716","doi":"10.1139/cjc-2021-0139","title":"Phenothiazines as dual inhibitors of SARS-CoV-2 main protease and COVID-19 inflammation","year":2021,"lang":"en","type":"article","venue":"Canadian Journal of Chemistry","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":6,"is_retracted":false,"has_abstract":true,"ca_institutions":"Saint Mary's University; Mount Saint Vincent University; Dalhousie University","funders":"Dalhousie University; Dalhousie Medical Research Foundation","keywords":"Chemistry; Docking (animal); Protease; Pharmacology; Coronavirus; Phenothiazine; Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2); Amprenavir; Receptor; Viral replication; Transporter; Butyrylcholinesterase; Enzyme; Coronavirus disease 2019 (COVID-19); Biochemistry; Acetylcholinesterase; Virus; Virology; Biology; Infectious disease (medical specialty)","routes":{"ca_aff":true,"ca_fund":true,"ca_venue":true,"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":[0.0004861287,0.00009613093,0.0001694937,0.00008507216,0.00006610167,0.0001066656,0.0002367792,0.00006006503,0.00002365957],"category_scores_gemma":[0.001613055,0.0001025998,0.00006313842,0.0002697686,0.00009326508,0.0003151096,0.00004735625,0.0001584705,0.000001147256],"about_ca_system_candidate":true,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001715004,"about_ca_system_score_gemma":0.007806841,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0004034073,"about_ca_topic_score_gemma":0.0003729429,"domain_scores_codex":[0.9989992,0.00008572952,0.0003770925,0.0001473763,0.0002385533,0.0001520448],"domain_scores_gemma":[0.998671,0.0001494471,0.0002865285,0.0001720272,0.0002828834,0.0004381081],"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":[0.000025786,0.00003017034,0.001745064,0.0005737527,0.00008699623,0.002311489,0.003414138,0.006316911,0.9639473,0.003580175,0.004953705,0.01301449],"study_design_scores_gemma":[0.0004855487,0.00002079308,0.0004383355,0.0001087916,0.000009646308,0.001854143,0.0001721799,0.002168328,0.9719446,0.01648716,0.006161974,0.0001485591],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9643446,0.0004047348,0.029893,0.004360915,0.0001425601,0.00005087761,0.00001244264,0.000005532381,0.0007853784],"genre_scores_gemma":[0.9850697,0.000005569132,0.01410442,0.0004653948,0.000250112,0.00000167056,0.00000386399,0.000007632967,0.00009162946],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.02072515,"threshold_uncertainty_score":0.997818,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02637533026329808,"score_gpt":0.2957366322874801,"score_spread":0.269361302024182,"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."}}