{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.000104848,0.0002476427,0.0002079154,0.0001413485,0.00008260438,0.0001442252,0.0002072935,0.0001400937,0.0008474547],"category_scores_gemma":[0.0001004657,0.00008291034,0.0001109671,0.0001331016,0.00009209254,0.0001082494,0.0001150825,0.0001859812,0.0003343277],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002123028,"about_ca_system_score_gemma":0.0001981358,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007831286,"about_ca_topic_score_gemma":0.001431072,"domain_scores_codex":[0.9999321,0.00001268185,0.000006795789,0.00001180787,0.0000217103,0.00001498859],"domain_scores_gemma":[0.9999639,0.000004062564,0.000007573369,0.00000402283,0.000009755926,0.00001060668],"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":[0.0002584434,0.00007215166,0.00008999428,0.00009310123,0.000007608827,0.00005910914,0.00001563592,0.0007126287,0.9906806,0.0001489947,0.00005756015,0.007804179],"study_design_scores_gemma":[0.00008051159,0.002180824,0.0007524115,0.000009228195,0.00001955963,0.0001931135,0.00001395964,0.000951347,0.9911242,0.00003044313,0.004633065,0.00001142196],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9877353,0.003650456,0.003108229,0.00004925325,0.0000292619,0.0002196311,0.0004124964,0.00004708921,0.004748142],"genre_scores_gemma":[0.9889972,0.002728236,0.005644529,0.00003789556,0.000006620599,0.00005324229,0.000391132,0.00001139314,0.002129826],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.0008474547,"threshold_uncertainty_score":0.002835035,"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."}}