{"id":"W2079879957","doi":"10.1021/jm800455g","title":"A Novel Small-Molecule Inhibitor of the Avian Influenza H5N1 Virus Determined through Computational Screening against the Neuraminidase","year":2009,"lang":"en","type":"article","venue":"Journal of Medicinal Chemistry","topic":"Influenza Virus Research Studies","field":"Medicine","cited_by":63,"is_retracted":false,"has_abstract":true,"ca_institutions":"BC Cancer Agency","funders":"","keywords":"Zanamivir; Oseltamivir; Neuraminidase; Neuraminidase inhibitor; Influenza A virus subtype H5N1; Chemistry; Virology; Influenza A virus; Virus; Docking (animal); Sialidase; Biochemistry; Enzyme; Biology; Coronavirus disease 2019 (COVID-19); 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":[0.0002341479,0.0007378398,0.001194748,0.0004720735,0.0003574859,0.0006830397,0.0008626674,0.0005490824,0.001615201],"category_scores_gemma":[0.0005264946,0.0002829277,0.0005946491,0.0003820245,0.0002808039,0.0003296831,0.0002516941,0.0004337297,0.0002033009],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0007363819,"about_ca_system_score_gemma":0.001438433,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.006341622,"about_ca_topic_score_gemma":0.0130199,"domain_scores_codex":[0.9999081,0.00002001705,0.000004141441,0.00001522342,0.00003691458,0.00001559639],"domain_scores_gemma":[0.9999083,0.00004405375,0.00001419996,0.000004036865,0.00001658752,0.00001283921],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"bench_or_experimental","study_design_scores_codex":[0.000609728,0.0003874052,0.003193568,0.0003821028,0.0002639164,0.0004996785,0.00003898559,0.9435133,0.02110247,0.004054048,0.001504563,0.0244501],"study_design_scores_gemma":[0.0001882205,0.0002691602,0.0003442396,0.000006924082,0.00006443073,0.00004893103,0.0000159932,0.9944192,0.003228409,0.000653091,0.0007531354,0.000008236978],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.915121,0.001595694,0.06511693,0.0004651994,0.00009443716,0.0003315551,0.00150555,0.001728229,0.01404129],"genre_scores_gemma":[0.9520198,0.0004619051,0.04411232,0.0001371593,0.00001262835,0.0001799277,0.00136003,0.00005754412,0.001658782],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006341622,"threshold_uncertainty_score":0.01260942,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07217532510768851,"score_gpt":0.3538601105304408,"score_spread":0.2816847854227522,"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."}}