{"id":"W2415338811","doi":"10.1039/c6ob00999a","title":"Synthesis and evaluation of influenza A viral neuraminidase candidate inhibitors based on a bicyclo[3.1.0]hexane scaffold","year":2016,"lang":"en","type":"article","venue":"Organic & Biomolecular Chemistry","topic":"Synthesis and Catalytic Reactions","field":"Chemistry","cited_by":27,"is_retracted":false,"has_abstract":true,"ca_institutions":"Simon Fraser University","funders":"FP7 Information and Communication Technologies; Seventh Framework Programme; Canadian Institutes of Health Research; European Commission","keywords":"Chemistry; Neuraminidase; Oseltamivir; Hexane; Enzyme; Bicyclic molecule; Scaffold; Neuraminidase inhibitor; Combinatorial chemistry; Stereochemistry; Biochemistry; Organic chemistry; Coronavirus disease 2019 (COVID-19)","routes":{"ca_aff":true,"ca_fund":true,"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":["insufficient_payload"],"consensus_categories":[],"category_scores_codex":[0.0004009034,0.0002913239,0.0002936271,0.00006223944,0.00007908206,0.00003556833,0.0002087719,0.0002335998,0.002560338],"category_scores_gemma":[0.0009287804,0.0002273102,0.0001375473,0.0001948956,0.000174795,0.00007411629,0.00006257335,0.00009295336,0.00002689687],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001857969,"about_ca_system_score_gemma":0.0002348173,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003122277,"about_ca_topic_score_gemma":0.000001804991,"domain_scores_codex":[0.9980341,0.00004081306,0.0004129802,0.0005276187,0.000695036,0.000289497],"domain_scores_gemma":[0.9984332,0.0002170692,0.0002546369,0.0007730593,0.0001486077,0.0001733892],"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":[0.00004861815,0.000147798,0.0006035104,0.0001407065,0.00006503024,0.00001109964,0.00001811805,6.017838e-7,0.9850303,0.000002622523,0.00008170719,0.0138499],"study_design_scores_gemma":[0.001003651,0.00001594259,0.0003418271,0.0003834112,0.0003036773,0.00002521236,0.00005812518,0.0003860688,0.9966547,0.00003405392,0.0005101141,0.0002832381],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9942825,0.0001725373,0.0002733881,0.0002987715,0.0000339276,0.00009289211,0.00009405763,0.00006460459,0.004687277],"genre_scores_gemma":[0.9995282,0.00001766159,0.0000309872,0.00007481038,0.00008571424,0.00005532823,0.0000177602,0.00005264891,0.0001368878],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.01356666,"threshold_uncertainty_score":0.9983515,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01158251777094084,"score_gpt":0.2456972181864931,"score_spread":0.2341147004155523,"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."}}