Initial Development of Automated Machine Learning-Assisted Prediction Tools for Aryl Hydrocarbon Receptor Activators

Initial Development of Automated Machine Learning-Assisted Prediction Tools for Aryl Hydrocarbon Receptor Activators

<b>Background</b>: The aryl hydrocarbon receptor (AhR) plays a crucial role in immune and metabolic processes. The large molecular diversity of ligands capable of activating AhR makes it impossible to determine the structural features useful for the design of new potent modulators. Thus,...

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Bibliographic Details
Main Authors: Paulina Anna Wojtyło, Natalia Łapińska, Lucia Bellagamba, Emidio Camaioni, Aleksander Mendyk, Stefano Giovagnoli
Format: Article
Language:English
Published: MDPI AG 2024-11-01
Series:Pharmaceutics
Subjects:
aryl hydrocarbon receptor
machine learning
AutoML
QSAR model
Online Access:https://www.mdpi.com/1999-4923/16/11/1456
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