DataFunSummit
Apr 11, 2021 · Artificial Intelligence
Applications of Graph Neural Networks in Biochemistry and Drug Discovery
Graph Neural Networks (GNNs) are increasingly applied in biochemistry, enabling molecular property prediction, chemical reaction forecasting, molecular graph generation, and drug–protein interaction modeling, with various generative models such as GraphRNN, MolGAN, VAE, and flow-based approaches enhancing drug discovery pipelines.
AIGraph Neural Networkschemical reaction prediction
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