{"id":"W3130291626","doi":"10.1021/acsptsci.0c00189","title":"Serotonin 2A Receptor (5-HT<sub>2A</sub>R) Activation by 25H-NBOMe Positional Isomers: <i>In Vitro</i> Functional Evaluation and Molecular Docking","year":2021,"lang":"en","type":"article","venue":"ACS Pharmacology & Translational Science","topic":"Psychedelics and Drug Studies","field":"Psychology","cited_by":24,"is_retracted":false,"has_abstract":true,"ca_institutions":"Dalhousie University; University of Saskatchewan","funders":"Bijzonder Onderzoeksfonds UGent; Canadian Institutes of Health Research; Kazan Federal University; Russian Science Foundation; Fonds Wetenschappelijk Onderzoek; GlaxoSmithKline","keywords":"Moiety; Phenethylamine; Chemistry; Phenethylamines; Stereochemistry; Serotonergic; Docking (animal); Serotonin; Phenothiazine; Receptor; Biochemistry; Pharmacology; Biology; Medicine","routes":{"ca_aff":true,"ca_fund":true,"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":[0.001236252,0.0002215639,0.0002118721,0.0002503345,0.0004756249,0.00005805037,0.000180678,0.0001343753,0.0007377604],"category_scores_gemma":[0.00004441639,0.0002474652,0.00006217347,0.001061323,0.0005015083,0.0005477968,0.00004881386,0.0003010147,0.00005045243],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0001668101,"about_ca_system_score_gemma":0.0004176349,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000168186,"about_ca_topic_score_gemma":0.000006930082,"domain_scores_codex":[0.9971123,0.0002726842,0.0003966833,0.0008432196,0.0008918605,0.0004832646],"domain_scores_gemma":[0.9988047,0.0003013362,0.0001332615,0.0001321322,0.0005001656,0.0001283956],"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":[0.000204984,0.0002569139,0.001604024,0.000006528423,0.00007967711,0.000006138545,0.0006125837,0.001022316,0.9857438,0.002236177,0.002824985,0.005401853],"study_design_scores_gemma":[0.003711019,0.00006273969,0.07590215,0.00002308817,0.00009565658,0.00004695891,0.0002896834,0.003391559,0.9093626,0.003480758,0.00320734,0.0004265138],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9809032,0.00148631,0.00120754,0.01218606,0.001107379,0.0004843423,0.00008486349,0.00003476847,0.002505503],"genre_scores_gemma":[0.9955655,0.0000742896,0.0003371232,0.003218996,0.0001658802,0.0002892779,0.0002988142,0.00001588575,0.00003421804],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.07638129,"threshold_uncertainty_score":0.9999977,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.02648452530473362,"score_gpt":0.3474010877925617,"score_spread":0.3209165624878281,"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."}}