{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000143932,0.0004065785,0.0003840399,0.000194529,0.0001272794,0.0001932152,0.0003095389,0.0002354335,0.0009778258],"category_scores_gemma":[0.0001174281,0.0001467163,0.000349088,0.0001668867,0.000136081,0.0001721912,0.0002243509,0.0003856461,0.0001983729],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002232767,"about_ca_system_score_gemma":0.0001878205,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0009408157,"about_ca_topic_score_gemma":0.002552591,"domain_scores_codex":[0.9999294,0.00002060152,0.000004356167,0.00001251296,0.00001722421,0.00001581801],"domain_scores_gemma":[0.9999572,0.00001197127,0.00001362058,0.000003114433,0.000005051537,0.000009053794],"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":[0.002668813,0.0004213299,0.001314635,0.0008061831,0.0002005111,0.0005165125,0.00008391876,0.01549106,0.9438212,0.0006488964,0.000809228,0.03321769],"study_design_scores_gemma":[0.001435921,0.01309192,0.00889235,0.0001154002,0.0005507449,0.00151139,0.00009871394,0.04992311,0.9070587,0.0004335046,0.01682048,0.00006770561],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9847819,0.009565801,0.002820039,0.0001821487,0.00004048394,0.00005985445,0.0002700267,0.000159219,0.002120452],"genre_scores_gemma":[0.9899035,0.005605601,0.002633153,0.00006624792,0.00001042727,0.00002301555,0.0003262016,0.00001327304,0.001418619],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0009778258,"threshold_uncertainty_score":0.003271103,"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."}}