{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0002098945,0.0006021042,0.0005625252,0.0001884767,0.0001727278,0.00027808,0.0004300653,0.0003368983,0.001826279],"category_scores_gemma":[0.00009628835,0.0001668253,0.0005085931,0.0002549046,0.0002031666,0.0001549667,0.000163202,0.0006027891,0.0004608571],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0004559989,"about_ca_system_score_gemma":0.0001707941,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.002869212,"about_ca_topic_score_gemma":0.004081784,"domain_scores_codex":[0.9998949,0.00002077648,0.00000618789,0.00002438816,0.00002304399,0.00003081703],"domain_scores_gemma":[0.9999639,0.000008136391,0.000007932116,0.000004742919,0.000006129499,0.000009132648],"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":[0.00121232,0.0002307021,0.0004039613,0.0002312356,0.00007006012,0.00009872365,0.00004834035,0.003214585,0.9896688,0.0003442417,0.0003195658,0.004157525],"study_design_scores_gemma":[0.0001004704,0.00235324,0.002233967,0.0000113313,0.0001063169,0.0001602293,0.00007658527,0.008796679,0.9828242,0.00006316198,0.003240905,0.00003286314],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9882627,0.004052373,0.003557062,0.00009821123,0.0000492368,0.00005010851,0.0009387584,0.00009993684,0.002891563],"genre_scores_gemma":[0.9863312,0.003936253,0.00568325,0.00005485091,0.000009521429,0.00005894922,0.001439131,0.00002960481,0.002457178],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002869212,"threshold_uncertainty_score":0.006109536,"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."}}