图神经网络
什么是图神经网路，一下讲不清楚。
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| 1. Identifying drug–target interactions based on graph convolutional network and deep neural network pdf |
| 2. Geometric deep learning on graphs and manifolds using mixture model CNNs pdf |
| 3. WideDTA: prediction of drug-target binding affinity pdf |
| 4. Graph neural networks for automated de novo drug design. DRUG DISCOVERY TODAY. JUN 2021 pdf |
| 5. Designing optimized drug candidates with Generative Adversarial Network. JOURNAL OF CHEMINFORMATICS. Jun 26 2022 pdf |
| 6. Graph networks for molecular design. MACHINE LEARNING-SCIENCE AND TECHNOLOGY. JUN 2021 pdf |
| 7. FP-GNN: a versatile deep learning architecture for enhanced molecular property prediction. BRIEFINGS IN BIOINFORMATICS. Sep 2022 pdf |
| 8. Sequence-based drug-target affinity prediction using weighted graph neural networks. BMC GENOMICS. Jun 17 2022 pdf |
| 9. Multiphysical graph neural network (MP-GNN) for COVID-19 drug design. BRIEFINGS IN BIOINFORMATICS. Jul 18 2022 pdf |
| 10. Prediction of Drug-Drug Interaction Using an Attention-Based Graph Neural Network on Drug Molecular Graphs.MOLECULES. May 2022 pdf |
| 11. Directed graph attention networks for predicting asymmetric drug-drug interactions. BRIEFINGS IN BIOINFORMATICS. May 13 2022 pdf |
12. Molecular contrastive learning of representations via graph neural networks.NATURE MACHINE INTELLIGENCE. Mar 2022 pdf |
| 13. Utilizing graph machine learning within drug discovery and development. BRIEFINGS IN BIOINFORMATICS. Nov 2021 pdf |
| 14. Molecular generative Graph Neural Networks for Drug Discovery.NEUROCOMPUTING .Aug 25 2021 pdf |
| 15. Introducing block design in graph neural networks for molecular properties prediction. CHEMICAL ENGINEERING JOURNAL. JUN 15 2021 pdf |
| 16. BonDNet: a graph neural network for the prediction of bond dissociation energies for charged molecules. CHEMICAL SCIENCE. FEB 7 2021 pdf |
| 17. DeepAtomicCharge: a new graph convolutional network-based architecture for accurate prediction of atomic charges.BRIEFINGS IN BIOINFORMATICS. 2021-05-20 pdf |
18. Generative machine learning for de novo drug discovery: A systematic review. Computers in Biology and Medicine 2022, pdf |