{"id":"W1987328650","doi":"10.1016/j.bmcl.2011.07.091","title":"Development of 2-substituted-N-(naphth-1-ylmethyl) and N-benzhydrylpyrimidin-4-amines as dual cholinesterase and Aβ-aggregation inhibitors: Synthesis and biological evaluation","year":2011,"lang":"en","type":"article","venue":"Bioorganic & Medicinal Chemistry Letters","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":26,"is_retracted":false,"has_abstract":false,"ca_institutions":"University of Waterloo","funders":"","keywords":"Chemistry; Substituent; Steric effects; Pyrimidine; Amine gas treating; Stereochemistry; IC50; Butyrylcholinesterase; Potency; Cholinesterase; Ring (chemistry); Aché; Acetylcholinesterase; Enzyme; In vitro; Pharmacology; Biochemistry; Organic chemistry","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":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0003190475,0.0002835927,0.000383554,0.00008132446,0.00009849911,0.00001507931,0.00004953856,0.0001275112,0.0001369746],"category_scores_gemma":[0.0008171045,0.0002222676,0.00003836637,0.0001492201,0.0003535721,0.0001095437,0.00006525386,0.0001370009,0.000002071492],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004389633,"about_ca_system_score_gemma":0.0001308256,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00002119938,"about_ca_topic_score_gemma":0.000003070941,"domain_scores_codex":[0.9984111,0.00005749153,0.0004715673,0.0004898389,0.0003669763,0.0002030956],"domain_scores_gemma":[0.9990827,0.0001422468,0.000176361,0.0001836513,0.0001449167,0.0002700957],"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":[0.000250785,0.0001216301,0.01496517,0.0003067052,0.00007065724,0.00006099177,0.001012217,5.36571e-8,0.9763663,0.000002425446,0.00006277774,0.006780254],"study_design_scores_gemma":[0.001327637,0.00005237973,0.07269806,0.0004093732,0.0003172904,0.000387339,0.0004598688,0.0000266455,0.9240154,0.00000671482,0.00009142486,0.0002078795],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9971861,0.001548684,0.00002119713,0.0007670064,0.00006770287,0.0003032733,0.00001039801,0.00003383511,0.00006186139],"genre_scores_gemma":[0.9980367,0.0003102158,0.000636675,0.0005674521,0.0003186286,0.00003890443,0.00006401474,0.00001943524,0.000007937238],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05773288,"threshold_uncertainty_score":0.906381,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06770903664879738,"score_gpt":0.2826802974933259,"score_spread":0.2149712608445285,"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."}}