{"id":"W2241538192","doi":"","title":"Insilico Analysis and Docking of Tacrine and Donepezil Derivatives Targeting Histamine-N-Methyltransferase and Acetyl Cholinesterase Protein Respectively for Alzheimer's Disease","year":2013,"lang":"en","type":"article","venue":"","topic":"Computational Drug Discovery Methods","field":"Computer Science","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Royal College of Physicians and Surgeons of Canada","funders":"","keywords":"Tacrine; Donepezil; Cholinesterase; Pharmacology; Docking (animal); Acetylcholinesterase; Medicine; Chemistry; Disease; Biochemistry; Internal medicine; Dementia; Enzyme","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":[0.0004876848,0.0002185777,0.0003682044,0.0003570835,0.0001468059,0.0002217176,0.0001951307,0.00003265593,0.000007066944],"category_scores_gemma":[0.0003709173,0.0001900303,0.0000745098,0.0006694922,0.0001600117,0.001054328,0.0002529633,0.00008140902,2.142256e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001544035,"about_ca_system_score_gemma":0.00005555523,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002409364,"about_ca_topic_score_gemma":0.00002145753,"domain_scores_codex":[0.9983554,0.0002051154,0.0003896914,0.0006155728,0.0002100885,0.0002241429],"domain_scores_gemma":[0.9983612,0.0007863944,0.0001270402,0.0002444843,0.000258458,0.0002224704],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"design_other","study_design_gemma":"simulation_or_modeling","study_design_scores_codex":[0.0009000002,0.000941458,0.1555996,0.001197204,0.003813411,0.00004605398,0.0133224,0.01463286,0.3374965,0.1052366,0.0001775032,0.3666364],"study_design_scores_gemma":[0.001803693,0.0001973013,0.3888695,0.00006234232,0.0003581415,0.000005354879,0.0002420675,0.5528951,0.03969254,0.01522481,0.00009432534,0.0005548791],"study_design_candidate":"simulation_or_modeling","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.5814562,0.0008205202,0.4163632,0.0007725632,0.00001172187,0.0005198551,0.00001205145,0.00003049646,0.00001340355],"genre_scores_gemma":[0.766203,0.0000213467,0.2335125,0.0001057559,0.00002226252,0.0001047393,0.000006523334,0.000009629698,0.00001420795],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.5382622,"threshold_uncertainty_score":0.7749211,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.01722076885582361,"score_gpt":0.2832970626109387,"score_spread":0.266076293755115,"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."}}