{"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":"codex-gemma-dda1882f352a","candidate_categories":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0001030922,0.000345332,0.0004377606,0.00006499976,0.0002092657,0.00004279024,0.0001447127,0.00004615559,0.0004734136],"category_scores_gemma":[0.000299424,0.000249594,0.0001598587,0.0002211273,0.00008672823,0.0001369489,0.00002540972,0.0003165967,0.00001900698],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000976941,"about_ca_system_score_gemma":0.0003002313,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00003220999,"about_ca_topic_score_gemma":0.00002578597,"domain_scores_codex":[0.9983714,0.00002708649,0.000353447,0.0005799487,0.0002982781,0.000369889],"domain_scores_gemma":[0.9983633,0.0002545012,0.0001519555,0.0004466275,0.0001737284,0.0006099461],"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":[0.003712389,0.0007299212,0.01484989,0.0001366107,0.0003225061,0.00003472517,0.0009497592,0.0000134173,0.9644933,0.000001068962,0.01271098,0.002045458],"study_design_scores_gemma":[0.006984036,0.0002606368,0.01007303,0.001561097,0.001551322,0.00005894657,0.00218452,0.0002306188,0.9673623,0.00003221496,0.009117828,0.0005833752],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9940509,0.00138966,0.0001166415,0.003084564,0.0001673495,0.0004848594,0.0003408772,0.0001122061,0.0002529261],"genre_scores_gemma":[0.9922531,0.00009324512,0.0005564698,0.001340286,0.001387163,0.00007918844,0.002102576,0.00004286694,0.002145082],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.004776855,"threshold_uncertainty_score":0.9999956,"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."}}