{"id":"W2955510992","doi":"10.1016/j.bioorg.2019.103084","title":"Search for multifunctional agents against Alzheimer’s disease among non-imidazole histamine H3 receptor ligands. In vitro and in vivo pharmacological evaluation and computational studies of piperazine derivatives","year":2019,"lang":"en","type":"article","venue":"Bioorganic Chemistry","topic":"Cholinesterase and Neurodegenerative Diseases","field":"Medicine","cited_by":17,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Environment Building for Science and Technology Industries; European Regional Development Fund; Ministerstvo Zdravotnictví Ceské Republiky; Polpharma Scientific Foundation; Institut de Cardiologie de Montréal; Narodowe Centrum Nauki; European Cooperation in Science and Technology; Uniwersytet Jagielloński Collegium Medicum","keywords":"Butyrylcholinesterase; In vivo; Acetylcholinesterase; Chemistry; Histamine H3 receptor; Histamine; In vitro; Pharmacology; Cholinesterase; IC50; Histamine receptor; Piperazine; Antagonist; Aché; Potency; Biochemistry; Stereochemistry; Receptor; Enzyme; Biology","routes":{"ca_aff":false,"ca_fund":true,"ca_venue":false,"about_ca":false,"invisible_to_affiliation_only":true},"retraction":null,"screen":null,"direct_labels":[],"prediction":{"model_version":"codex-gemma-dda1882f352a","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001583457,0.0001423778,0.0002663747,0.00005337314,0.00003080691,0.000007302515,0.00003184161,0.00004620466,0.0001065249],"category_scores_gemma":[0.0001656201,0.0001265712,0.00003555595,0.000123702,0.0001296926,0.00006758545,0.00005204844,0.00008474743,7.157012e-7],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00007129224,"about_ca_system_score_gemma":0.0001317075,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00000182742,"about_ca_topic_score_gemma":7.56913e-7,"domain_scores_codex":[0.9990355,0.00002299532,0.0002661152,0.0003241989,0.0002214378,0.0001297255],"domain_scores_gemma":[0.9993466,0.000191313,0.00006408403,0.00007070508,0.0002147784,0.0001125118],"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":[0.001132366,0.000324758,0.1615212,0.0002261573,0.00007296416,0.000004565108,0.0001830647,0.000151782,0.83587,2.699764e-7,0.0001643009,0.0003485687],"study_design_scores_gemma":[0.004193723,0.00003384441,0.2407792,0.0001126356,0.00008889594,0.000001247031,0.0002206511,0.01785612,0.7366024,0.000003178721,0.00001334264,0.00009483148],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9969314,0.002013993,0.000005584788,0.0001910728,0.00003718038,0.000696908,0.000100335,0.000008009177,0.00001547765],"genre_scores_gemma":[0.9990004,0.0002405772,0.00009905356,0.000144719,0.00008005814,0.00006975437,0.0002943648,0.00001274259,0.00005828666],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.09926768,"threshold_uncertainty_score":0.5161424,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.06861921062659457,"score_gpt":0.3585617522836119,"score_spread":0.2899425416570173,"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."}}