Molecular Image-Based Prediction Models of Nuclear Receptor Agonists and Antagonists Using the DeepSnap-Deep Learning Approach with the Tox21 10K Library

The interaction of nuclear receptors (NRs) with chemical compounds can cause dysregulation of endocrine signaling pathways, leading to adverse health outcomes due to the disruption of natural hormones. Thus, identifying possible ligands of NRs is a crucial task for understanding the adverse outcome...

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Bibliographic Details
Main Authors: Yasunari Matsuzaka, Yoshihiro Uesawa
Format: Article
Language:English
Published: MDPI AG 2020-06-01
Series:Molecules
Subjects:
Online Access:https://www.mdpi.com/1420-3049/25/12/2764