PredPS: Attention-based graph neural network for predicting stability of compounds in human plasma

PredPS: Attention-based graph neural network for predicting stability of compounds in human plasma

Stability of compounds in the human plasma is crucial for maintaining sufficient systemic drug exposure and considered an essential factor in the early stages of drug discovery and development. The rapid degradation of compounds in the plasma can result in poor in vivo efficacy. Currently, there are...

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Bibliographic Details
Main Authors: Woo Dae Jang, Jidon Jang, Jin Sook Song, Sunjoo Ahn, Kwang-Seok Oh
Format: Article
Language:English
Published: Elsevier 2023-01-01
Series:Computational and Structural Biotechnology Journal
Subjects:
Plasma stability
Drug discovery
ADME
Graph neural network
Attention analysis
Machine learning
Online Access:http://www.sciencedirect.com/science/article/pii/S2001037023002416

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http://www.sciencedirect.com/science/article/pii/S2001037023002416

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