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Instance-Wise Contrastive Graph Neural Network Enables the Discovery of Novel Aedes aegypti Larvicidal Compounds

Aedes aegypti remains a major arboviral vector, making larval control a critical strategy to reduce mosquito populations. However, resistance to commercial larvicides has reduced the long-term effectiveness of current interventions, reinforcing the need for new compounds with improved potency and selectivity. Here, we present an instance-wise contrastive graph neural network (GNN) framework to accelerate the discovery of novel larvicidal compounds.

bioRxiv 10d ago