{"id":"W3119103862","doi":"10.21203/rs.3.rs-28225/v1","title":"Molecular docking-simulation edge assessment of potential and less-toxic ‘anti- HIV-drug and phyto-flavonoid’ combination against COVID-19","year":2020,"lang":"en","type":"preprint","venue":"Research Square (Research Square)","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":1,"is_retracted":false,"has_abstract":true,"ca_institutions":"SKiN Health","funders":"Indian Council of Medical Research; World Health Organization","keywords":"Darunavir; Docking (animal); Drug repositioning; Pharmacology; Drug; Coronavirus; Drug discovery; Biology; Virology; Medicine; Coronavirus disease 2019 (COVID-19); Virus; Viral load; Infectious disease (medical specialty); Biochemistry; Disease; Antiretroviral therapy","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":[0.0004900694,0.001182684,0.001256971,0.0005240404,0.0005044196,0.0004916312,0.0009576966,0.0007210362,0.006792171],"category_scores_gemma":[0.0007345803,0.0003015441,0.001243519,0.0004452341,0.0001820013,0.0003976717,0.0005061986,0.0007301849,0.0005473866],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004751746,"about_ca_system_score_gemma":0.0007071242,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006900217,"about_ca_topic_score_gemma":0.007372428,"domain_scores_codex":[0.9998393,0.00005312567,0.000009133679,0.00002092477,0.00003541883,0.0000420709],"domain_scores_gemma":[0.9998032,0.00009589444,0.00001885208,0.00001201458,0.00004252751,0.00002753394],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.001489408,0.0008284436,0.00676453,0.0007364427,0.0006176361,0.0004439021,0.00008643194,0.9369386,0.021584,0.003454233,0.004564687,0.0224917],"study_design_scores_gemma":[0.0002177332,0.001081743,0.001627005,0.00002639611,0.0001594773,0.00005729232,0.00006153865,0.987364,0.00646333,0.0007484439,0.002157365,0.00003564197],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9546193,0.003238285,0.02038124,0.0006387546,0.0001774307,0.0001977212,0.002186643,0.0009843262,0.01757634],"genre_scores_gemma":[0.9799197,0.0009993901,0.01515087,0.0001413256,0.00001449434,0.000213161,0.001636458,0.00007589279,0.001848712],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006900217,"threshold_uncertainty_score":0.02272201,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1329566532224989,"score_gpt":0.4798424934768959,"score_spread":0.3468858402543969,"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."}}