{"id":"W4254157533","doi":"10.20941/2309-4435.2016.04.1","title":"Quantitative Structure -Activity Relations hip and Docking Studies on a Series of Substituted Acyl(thio)ureas and Thiadiazolo[2,3 - a a ] - pyrimidine Derivatives as Potent Inhibitors of Influenza Virus Neuraminidase","year":2016,"lang":"en","type":"article","venue":"Journal of Applied Biopharmaceutics and Pharmacokinetics","topic":"Synthesis and biological activity","field":"Chemistry","cited_by":0,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"","keywords":"Thio-; Neuraminidase; Docking (animal); Pyrimidine; Chemistry; Enzyme; Stereochemistry; Biochemistry; Combinatorial chemistry; Medicine","routes":{"ca_aff":false,"ca_fund":false,"ca_venue":true,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002145162,0.0002825239,0.0003922393,0.0002168106,0.0001100923,0.0001968236,0.0001991972,0.0001346645,0.0008568929],"category_scores_gemma":[0.0002844436,0.0001129783,0.0003198198,0.0002937042,0.0001278333,0.0001183646,0.00009349985,0.0002480543,0.0000778072],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003106928,"about_ca_system_score_gemma":0.0001495767,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003015907,"about_ca_topic_score_gemma":0.005126199,"domain_scores_codex":[0.9999113,0.00002473026,0.000005715882,0.00001260673,0.00003185975,0.00001376484],"domain_scores_gemma":[0.9998915,0.00004523709,0.00002158586,0.000007151897,0.00002449117,0.00001009075],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"not_applicable","study_design_scores_codex":[0.001570009,0.0005590745,0.003021742,0.0002709187,0.0001500757,0.0000973084,0.00004597926,0.04966356,0.9263088,0.0004285426,0.0003056831,0.01757836],"study_design_scores_gemma":[0.0001509044,0.007587221,0.02503466,0.00001225263,0.0003288773,0.0003293608,0.00006574482,0.186858,0.7775842,0.00009754382,0.001902622,0.00004865569],"study_design_candidate":"not_applicable","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"other","genre_scores_codex":[0.9967674,0.001458927,0.001018668,0.00002245135,0.000006171901,0.00001089589,0.0002178697,0.00002631756,0.0004713876],"genre_scores_gemma":[0.9975647,0.0007824647,0.0009058983,0.000005920232,0.000002484467,0.000005341872,0.0002565856,0.000002758435,0.0004739321],"genre_candidate":"other","genre_consensus":null,"teacher_disagreement_score":0.003015907,"threshold_uncertainty_score":0.005996704,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.07431249280170978,"score_gpt":0.3461346647519094,"score_spread":0.2718221719501996,"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."}}