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Open access Sep 2026

AET5: A transcriptome-guided molecular generation framework with contrastive self-supervised learning

AET5 is presented, a de novo molecular generation framework that conditions molecular design on disease-reversal gene expression profiles, providing a general framework for biologically informed drug design under noisy transcriptomic conditions.

Zhi-Kang Yuan, Xin Zhang, Gao-Ming Lin et al. · 0 citations

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