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Tianyu Han

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Conference Jul 2026

PR-GVAE: Property-Controllable Molecular Generation via Conditional Graph Variational Autoencoder

Molecular generation is a core task in drug discovery. Although existing deep generative models can produce valid molecular structures, they lack precise control over molecular properties such as lipophilicity (logP) and drug-likeness (QED). This paper proposes Property-Regularized Graph Variational Autoencoder (PR-GVA...

Lu Yu, Tianyu Han, Shuyue Men et al. · 0 citations

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