Machine learning models to predict ligand binding affinity for the orexin 1 receptor.

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第一作者： Vanessa Y,Zhang

第一单位： Department of Psychiatry, Robert Wood Johnson Medical School, Rutgers University and Rutgers Biomedical Health Sciences, Piscataway, NJ, USA.;Brain Health Institute, Rutgers University and Rutgers Biomedical and Health Sciences, Piscataway, NJ, USA.;West Windsor-Plainsboro High School South, West Windsor, NJ, USA.

作者： Vanessa Y,Zhang ^[1] ; Shayna L,O'Connor ^[2] ; William J,Welsh ^[3] ; Morgan H,James ^[2]

作者单位： Department of Psychiatry, Robert Wood Johnson Medical School, Rutgers University and Rutgers Biomedical Health Sciences, Piscataway, NJ, USA.;Brain Health Institute, Rutgers University and Rutgers Biomedical and Health Sciences, Piscataway, NJ, USA.;West Windsor-Plainsboro High School South, West Windsor, NJ, USA. ^[1] Department of Psychiatry, Robert Wood Johnson Medical School, Rutgers University and Rutgers Biomedical Health Sciences, Piscataway, NJ, USA.;Brain Health Institute, Rutgers University and Rutgers Biomedical and Health Sciences, Piscataway, NJ, USA. ^[2] Department of Pharmacology, Robert Wood Johnson Medical School, Rutgers University and Rutgers Biomedical Health Sciences, Piscataway, NJ, USA. ^[3]

关键词 Feature selection Hypocretin Hypothalamus Machine learning Orexin QSAR Random forest Virtual screening

DOI 10.1016/j.aichem.2023.100040

PMID 38476266

发布时间 2025-02-13

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Artificial intelligence chemistry

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Machine learning models to predict ligand binding affinity for the orexin 1 receptor.

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Machine learning models to predict ligand binding affinity for the orexin 1 receptor.

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