{"id":"W2416493305","doi":"10.1111/cbdd.12800","title":"Structure–activity relationship studies of benzyl‐, phenethyl‐, and pyridyl‐substituted tetrahydroacridin‐9‐amines as multitargeting agents to treat Alzheimer's disease","year":2016,"lang":"en","type":"article","venue":"Chemical Biology & Drug Design","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":9,"is_retracted":false,"has_abstract":true,"ca_institutions":"University of Waterloo","funders":"Natural Sciences and Engineering Research Council of Canada; Ontario Ministry of Research, Innovation and Science; University of Waterloo; Canada Foundation for Innovation","keywords":"Butyrylcholinesterase; Chemistry; IC50; Amine gas treating; Cholinesterase; Acetylcholinesterase; Pharmacophore; Aché; Stereochemistry; Enzyme; Biochemistry; Pharmacology; In vitro; Organic chemistry; Medicine","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":[0.0001954515,0.0002906822,0.0003298463,0.0001857606,0.00008142679,0.0001359642,0.0002137416,0.0002083623,0.001476892],"category_scores_gemma":[0.000122904,0.0001434517,0.0002109842,0.0001542766,0.00008823011,0.0001424476,0.00009790529,0.0002967386,0.0003144499],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001610413,"about_ca_system_score_gemma":0.0001061413,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0003714909,"about_ca_topic_score_gemma":0.001117192,"domain_scores_codex":[0.9999237,0.00001916683,0.000006754381,0.00001491021,0.00001809784,0.00001727037],"domain_scores_gemma":[0.9999121,0.00002179234,0.00001932732,0.000006013018,0.00001953077,0.00002122886],"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":[0.0005797576,0.0004983573,0.0003444131,0.0001559795,0.00003759401,0.0001038701,0.00002359102,0.001032031,0.9878234,0.00007041122,0.0001123077,0.009218371],"study_design_scores_gemma":[0.0004229875,0.01348908,0.01125558,0.00002145871,0.0001792584,0.0005355714,0.00002588034,0.004357041,0.9633247,0.00005438202,0.006308864,0.00002527533],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9871388,0.009040602,0.001031292,0.00006990135,0.00003277669,0.00007499177,0.0003483675,0.00003971298,0.002223475],"genre_scores_gemma":[0.9902056,0.004601691,0.001798871,0.00006437284,0.00001982849,0.0000582426,0.0005163777,0.000007678062,0.002727347],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.001476892,"threshold_uncertainty_score":0.004940689,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1058888591063761,"score_gpt":0.3675653731275029,"score_spread":0.2616765140211268,"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."}}