{"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":"metacan-v3-hybrid-931329e0061c","candidate_categories":[],"consensus_categories":[],"category_scores_codex":[0.0001664152,0.0005191839,0.000329358,0.0002424265,0.0001532311,0.0001588178,0.0004205622,0.0002501875,0.002972816],"category_scores_gemma":[0.0001642822,0.0001136821,0.0002065731,0.0002259653,0.0001544815,0.0002570337,0.0002493145,0.0004626858,0.0006854211],"about_ca_system_candidate":false,"about_ca_system_consensus":false,"about_ca_system_score_codex":0.0002934811,"about_ca_system_score_gemma":0.0002096523,"about_ca_topic_candidate":false,"about_ca_topic_consensus":false,"about_ca_topic_score_codex":0.0007139641,"about_ca_topic_score_gemma":0.003003256,"domain_scores_codex":[0.9999071,0.00002080858,0.000008916281,0.00002033345,0.0000213718,0.00002145201],"domain_scores_gemma":[0.9999373,0.0000100593,0.00002273284,0.000004919737,0.00001021725,0.0000146451],"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":[0.001045728,0.0006027262,0.0005243519,0.001125743,0.00007982654,0.0005944537,0.0001258073,0.005794579,0.9410012,0.002435777,0.002318826,0.04435092],"study_design_scores_gemma":[0.0008261008,0.02241529,0.01164559,0.0002454134,0.00024126,0.001581013,0.0001609086,0.01775681,0.8710828,0.0009969064,0.07291693,0.0001311977],"study_design_candidate":"bench_or_experimental","study_design_consensus":"bench_or_experimental","genre_codex":"empirical","genre_gemma":"empirical","genre_scores_codex":[0.9447187,0.01830415,0.01479014,0.0005030838,0.0003074213,0.0003804171,0.001464639,0.0004262521,0.01910523],"genre_scores_gemma":[0.9701965,0.01247325,0.009120055,0.0003500872,0.00005522742,0.0001598903,0.0009688926,0.00005622696,0.006619799],"genre_candidate":"empirical","genre_consensus":"empirical","teacher_disagreement_score":0.002972816,"threshold_uncertainty_score":0.009945035,"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."}}