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...
Saved in:
| 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 |
| Tags: |
Add Tag
No Tags, Be the first to tag this record!
|
Similar Items
-
ARO-GNN: Adaptive relation-optimized graph neural networks
by: Yong Lu, et al.
Published: (2025-08-01) -
DFusMol: predicting molecular properties based on dual-channel attention
by: Xuan Liu, et al.
Published: (2025-07-01) -
D3GNN: Double dual dynamic graph neural network for multisource remote sensing data classification
by: Teng Yang, et al.
Published: (2025-05-01) -
L2-GNN: Graph neural networks with fast spectral filters using twice linear parameterization
by: Siying Huang, et al.
Published: (2025-08-01) -
Structure–property models of organic compounds based on molecular graphs with elements of the spatial structures of the molecules
by: N. A. Shulaeva, et al.
Published: (2021-01-01)