{"id":"W2128468782","doi":"10.2174/157340609788185909","title":"Possible Drug Candidates for Alzheimers Disease Deduced from Studying their Binding Interactions with α7 Nicotinic Acetylcholine Receptor","year":2009,"lang":"en","type":"article","venue":"Medicinal Chemistry","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":52,"is_retracted":false,"has_abstract":true,"ca_institutions":"Institute for Biological Sciences","funders":"National Cancer Institute","keywords":"Docking (animal); Chemistry; Nicotinic acetylcholine receptor; Hydrogen bond; Nicotinic agonist; Drug discovery; Molecule; Molecular dynamics; Biophysics; Receptor; Computational chemistry; Biochemistry; Biology; 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":[0.0001339237,0.0003773903,0.0006520642,0.0004408012,0.0002037581,0.0002999536,0.0001789733,0.0002459457,0.004318051],"category_scores_gemma":[0.0001758748,0.0001460627,0.0003233505,0.0002776863,0.0001296951,0.0002268045,0.0001255977,0.0002075037,0.0004786055],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001774794,"about_ca_system_score_gemma":0.0003380621,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0002901265,"about_ca_topic_score_gemma":0.0008557155,"domain_scores_codex":[0.9999648,0.00001037557,0.000002885973,0.000005974453,0.000008584035,0.000007330518],"domain_scores_gemma":[0.9999679,0.00001115979,0.000007642923,0.000001477372,0.000004764891,0.00000708559],"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":[0.005258389,0.001381991,0.01359757,0.002770136,0.0002880202,0.00528497,0.0002262415,0.02170634,0.707044,0.01149629,0.003074388,0.2278716],"study_design_scores_gemma":[0.004948846,0.01802688,0.05310638,0.0005894171,0.002962963,0.006293159,0.0008134343,0.06080123,0.774621,0.01174819,0.06590352,0.0001849324],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9529687,0.02632873,0.006768072,0.0006360474,0.00006520788,0.0004103685,0.0009875597,0.0001870076,0.01164824],"genre_scores_gemma":[0.9660612,0.01389327,0.01429593,0.0002577209,0.0000337016,0.0001565733,0.001351625,0.00001034863,0.003939541],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004318051,"threshold_uncertainty_score":0.01444536,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.04208362176876451,"score_gpt":0.3208982408850127,"score_spread":0.2788146191162482,"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."}}