{"id":"W4390606302","doi":"10.1021/acsptsci.3c00322","title":"Series of (([1,1′-Biphenyl]-2-yl)methyl)sulfinylalkyl Alicyclic Amines as Novel and High Affinity Atypical Dopamine Transporter Inhibitors with Reduced hERG Activity","year":2024,"lang":"en","type":"article","venue":"ACS Pharmacology & Translational Science","topic":"Neurotransmitter Receptor Influence on Behavior","field":"Neuroscience","cited_by":5,"is_retracted":false,"has_abstract":true,"ca_institutions":"Libin Cardiovascular Institute of Alberta","funders":"National Institute on Drug Abuse; Danmarks Frie Forskningsfond; National Institutes of Health; H. Lundbeck A/S; Lundbeckfonden; Natur og Univers, Det Frie Forskningsråd; Johns Hopkins University","keywords":"Alicyclic compound; Dopamine transporter; Biphenyl; hERG; Chemistry; Transporter; Dopamine; Dopamine Plasma Membrane Transport Proteins; Stereochemistry; Biochemistry; Organic chemistry; Biology; Neuroscience; Biophysics; Gene; Potassium channel","routes":{"ca_aff":true,"ca_fund":false,"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","sts"],"consensus_categories":[],"category_scores_codex":[0.0004181254,0.0003804665,0.0003812023,0.0003712483,0.0003452095,0.0001021144,0.0005915733,0.0001269807,0.0003109146],"category_scores_gemma":[0.00004833326,0.0003184485,0.00008811882,0.00180413,0.003817341,0.001877685,0.00004411419,0.0004566843,0.00001871565],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.00004670615,"about_ca_system_score_gemma":0.0004005988,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.00005833009,"about_ca_topic_score_gemma":0.00002980714,"domain_scores_codex":[0.9965914,0.000130114,0.0004757179,0.001219587,0.0009835573,0.0005996154],"domain_scores_gemma":[0.9987791,0.0004775294,0.000121142,0.0002249325,0.0001223391,0.0002749658],"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":[0.000575888,0.0002831834,0.001515984,0.00005950481,0.00001398878,0.00008203488,0.00049614,0.00009769435,0.9907326,0.001780351,0.00002400564,0.004338686],"study_design_scores_gemma":[0.0009107605,0.0003572035,0.05788254,0.00004643807,0.0001069664,0.0002885913,0.00001174953,0.0001139165,0.9389541,0.0003364259,0.0006679376,0.0003233991],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9924433,0.00008025622,0.0003244844,0.005297257,0.0007798024,0.0006164364,0.0001351317,0.0001707413,0.0001525611],"genre_scores_gemma":[0.998244,0.0000623596,0.0007967571,0.000543405,0.000128077,0.00009184719,0.000003617034,0.0000360373,0.00009384202],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.05636656,"threshold_uncertainty_score":0.9999267,"prediction_status":"machine_predicted_unvalidated"},"machine_scores":{"provisional":true,"baseline":true,"maturity_gate_passed":false,"score_opus":0.03014775228692216,"score_gpt":0.317124631395647,"score_spread":0.2869768791087248,"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."}}