DSBD distills a dual-aligned structural basis to adapt GNNs across graphs with structural distribution shifts, outperforming prior methods on benchmarks.
Derivation and validation of toxicophores for mutagenicity prediction.Journal of medicinal chemistry, 48(1):312–320
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DSBD: Dual-Aligned Structural Basis Distillation for Graph Domain Adaptation
DSBD distills a dual-aligned structural basis to adapt GNNs across graphs with structural distribution shifts, outperforming prior methods on benchmarks.