{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001565828,0.0005333859,0.0006722884,0.0002627376,0.0001804525,0.0004459107,0.0004495179,0.000273058,0.002851509],"category_scores_gemma":[0.0001663139,0.0001825155,0.0004997798,0.0002418926,0.0001142394,0.0003143252,0.0002760408,0.0003535569,0.0003951553],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0003768882,"about_ca_system_score_gemma":0.0003114675,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00114618,"about_ca_topic_score_gemma":0.002750978,"domain_scores_codex":[0.999969,0.000006974376,0.000001318606,0.000006790611,0.000007344614,0.00000855178],"domain_scores_gemma":[0.999964,0.00001140193,0.00001134549,0.000002618779,0.000004806257,0.000005886279],"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":[0.004077615,0.001660643,0.0065389,0.005350124,0.001099172,0.002412298,0.0001834821,0.3309729,0.3683615,0.02356623,0.008196789,0.2475804],"study_design_scores_gemma":[0.002737543,0.01231849,0.005980404,0.0003515839,0.00240659,0.001618699,0.0003664876,0.7501459,0.1552587,0.008906601,0.05977796,0.0001310504],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9262327,0.03338508,0.02385778,0.0008008692,0.00007687061,0.0002231617,0.001362776,0.000686337,0.01337441],"genre_scores_gemma":[0.9676901,0.01117834,0.01672006,0.0002624971,0.00002113761,0.0001193286,0.001052356,0.00003580586,0.002920414],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002851509,"threshold_uncertainty_score":0.009539247,"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."}}