{"id":"W3111139148","doi":"10.1002/alz.044674","title":"The in silico search for endogenous anti‐Alzheimer's compounds","year":2020,"lang":"en","type":"article","venue":"Alzheimer s & Dementia","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":2,"is_retracted":false,"has_abstract":true,"ca_institutions":"Treventis (Canada); Toronto Western Hospital; Krembil Foundation","funders":"","keywords":"In silico; Endogeny; Peptide; Chemistry; Computational biology; Drug discovery; Docking (animal); Small molecule; Human brain; Biochemistry; Biology; Neuroscience; Medicine","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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0005136127,0.001519678,0.001525353,0.001279426,0.0005263228,0.000956247,0.001153333,0.001129871,0.006241271],"category_scores_gemma":[0.001116636,0.0006130221,0.001335019,0.0007453397,0.0002625195,0.0004546317,0.000388354,0.0005799615,0.0007479414],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0006887289,"about_ca_system_score_gemma":0.001457705,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.003278323,"about_ca_topic_score_gemma":0.005274639,"domain_scores_codex":[0.9997959,0.0000665412,0.00001028332,0.00003682767,0.00005189439,0.00003875159],"domain_scores_gemma":[0.9994199,0.0004038705,0.00005073001,0.00002144343,0.00007114549,0.00003285255],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"simulation_or_modeling","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0006623825,0.0006013799,0.005769994,0.000475688,0.0002968108,0.0004521663,0.00003034659,0.9671705,0.009614378,0.002177244,0.001805182,0.01094385],"study_design_scores_gemma":[0.0002273514,0.0006007018,0.0005683333,0.00002088648,0.000168685,0.00008882515,0.00003471566,0.9919053,0.004164892,0.0007341965,0.001474545,0.0000115332],"study_design_candidate":"simulation_or_modeling","study_design_consensus":"simulation_or_modeling","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9317762,0.002251104,0.03629292,0.001017511,0.0001238009,0.0005287587,0.004418528,0.002756518,0.02083462],"genre_scores_gemma":[0.9436848,0.0009516998,0.04628958,0.0003900564,0.00003229867,0.000424082,0.004772326,0.0001287018,0.003326492],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.006241271,"threshold_uncertainty_score":0.02087909,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1194546809491386,"score_gpt":0.3266104682159546,"score_spread":0.207155787266816,"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."}}