Optimizing GNN Architectures Through Nonlinear Activation Functions for Potent Molecular Property Prediction

Accurate predictions of molecular properties are crucial for advancements in drug discovery and materials science. However, this task is complex and requires effective representations of molecular structures. Recently, Graph Neural Networks (GNNs) have emerged as powerful tools for this purpose, dem...

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Bibliographic Details
Main Authors: Areen Rasool, Jamshaid Ul Rahman, Quaid Iqbal
Format: Article
Language:English
Published: MDPI AG 2024-10-01
Series:Computation
Subjects:
Online Access:https://www.mdpi.com/2079-3197/12/11/212
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