{"id":"W4390278018","doi":"10.1016/j.neuropharm.2023.109827","title":"Structure-activity relationships for locomotor stimulant effects and monoamine transporter interactions of substituted amphetamines and cathinones","year":2023,"lang":"en","type":"article","venue":"Neuropharmacology","topic":"Forensic Toxicology and Drug Analysis","field":"Pharmacology, Toxicology and Pharmaceutics","cited_by":7,"is_retracted":false,"has_abstract":false,"ca_institutions":"","funders":"Intramural Research Program; National Institute on Drug Abuse; United States Drug Enforcement Administration; Hamilton Health Sciences Foundation; U.S. Department of Justice; University of Arkansas for Medical Sciences; National Institutes of Health","keywords":"Dopamine transporter; Phenethylamines; Monoamine neurotransmitter; Stimulant; Amphetamine; Pharmacology; Chemistry; Norepinephrine transporter; Dopamine; Transporter; Designer drug; Potency; Drug; In vitro; Serotonin; Biochemistry; Biology; Endocrinology","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":["metaepi_narrow"],"consensus_categories":[],"category_scores_codex":[0.0003442116,0.0002607933,0.0005007326,0.0003494103,0.0003717807,0.000008030135,0.0001181942,0.0002990471,0.0001723248],"category_scores_gemma":[0.0002551033,0.0002464597,0.00009840811,0.0003856034,0.0005967455,0.0001342302,0.00005748351,0.0006679178,0.000009660725],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00001843112,"about_ca_system_score_gemma":0.00004062596,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0000225262,"about_ca_topic_score_gemma":0.0001139,"domain_scores_codex":[0.9981726,0.0005765088,0.0003629844,0.0004402553,0.00007511544,0.0003724845],"domain_scores_gemma":[0.9959744,0.003400885,0.0001930363,0.0001417696,0.0001036877,0.0001862251],"domain_codex":null,"domain_gemma":null,"domain_candidate":null,"domain_consensus":null,"study_design_codex":"bench_or_experimental","study_design_gemma":"observational","study_design_scores_codex":[0.001695351,0.0002837504,0.05522798,0.000459291,0.0006449379,0.0001323343,0.001003336,0.001380876,0.924082,0.0009456294,0.001420557,0.01272393],"study_design_scores_gemma":[0.008979383,0.0009337547,0.6131798,0.0000237721,0.002826293,0.0001919857,0.0001037861,0.07614248,0.279465,0.001307738,0.01619343,0.0006525908],"study_design_candidate":"bench_or_experimental","study_design_consensus":null,"genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9957424,0.0002414223,0.0003295125,0.0009373782,0.0015467,0.0007570278,0.0002669914,0.0001377125,0.00004087931],"genre_scores_gemma":[0.998441,0.0003001283,0.0001780963,0.000398572,0.0001481098,0.0001144386,0.00007139785,0.00002799226,0.000320265],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.644617,"threshold_uncertainty_score":0.9999987,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.09794032694914875,"score_gpt":0.4117544021626025,"score_spread":0.3138140752134537,"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."}}