{"id":"W2014949895","doi":"10.1016/j.bbrc.2005.10.047","title":"Theoretical studies of Alzheimer’s disease drug candidate 3-[(2,4-dimethoxy)benzylidene]-anabaseine (GTS-21) and its derivatives","year":2005,"lang":"en","type":"article","venue":"Biochemical and Biophysical Research Communications","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":42,"is_retracted":false,"has_abstract":false,"ca_institutions":"Université du Québec à Montréal; Concordia University","funders":"National Natural Science Foundation of China; National Science Foundation","keywords":"Drug; van der Waals force; Chemistry; Dimer; Nicotinic agonist; Nicotinic acetylcholine receptor; Stereochemistry; Binding energy; Computational chemistry; Pharmacology; Biochemistry; Receptor; Molecule; Medicine; Organic chemistry; Physics","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":[0.000351173,0.0001751558,0.0003726285,0.0001171132,0.0002634437,0.00002483628,0.000218069,0.00004365732,0.00003476388],"category_scores_gemma":[0.001692814,0.0001268703,0.00009569764,0.0003541053,0.002510199,0.00009963911,0.0006489362,0.0003624291,0.000008007162],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0000230191,"about_ca_system_score_gemma":0.0001193289,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00001191868,"about_ca_topic_score_gemma":0.000003075944,"domain_scores_codex":[0.9982558,0.0003642566,0.0003137702,0.0003532253,0.000423219,0.0002896981],"domain_scores_gemma":[0.9969346,0.001149227,0.00004965317,0.0007129795,0.000607396,0.0005461653],"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":[0.0004460829,0.001095962,0.0004729155,0.0001669133,0.0002041437,0.000007516215,0.0003536067,2.001571e-7,0.9380338,0.05481821,0.001655311,0.002745391],"study_design_scores_gemma":[0.001167746,0.0002335464,0.01386403,0.0003557963,0.0003736219,0.000007351453,0.0003907935,0.00249778,0.9761093,0.003264592,0.001477157,0.0002582736],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9347274,0.04058931,0.000002749978,0.02402465,0.000006450734,0.0003601638,0.0001122388,0.00002347059,0.0001535284],"genre_scores_gemma":[0.9882558,0.01028046,0.0007063954,0.0003414756,0.0001496516,0.00007523917,0.00008501366,0.00001594477,0.00009002536],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05352836,"threshold_uncertainty_score":0.9248934,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.1618507808131336,"score_gpt":0.4610159869133916,"score_spread":0.299165206100258,"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."}}