Author

Xiao-Yi Guo

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Open access Sep 2026

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

Gene expression profiles capture system-level drug responses and offer a promising basis for de novo molecular generation. However, their application is limited by data sparsity and experimental noise, which hinder the reliable mapping between disease-associated transcriptomic perturbations and chemically valid therape...

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

Aug 2026

MDFA-MLP: Multi-scale Dilated Fusion Attention and Ensemble Framework for Anticancer Peptide Prediction.

INTRODUCTION Experimental identification of anticancer peptides (ACPs) is timeconsuming and costly, which limits large-scale ACP discovery and screening. To address this challenge, we developed MDFA-MLP, a novel computational framework for ACP prediction that integrates multi-scale feature learning and ensemble classif...

Binyu Li, Zhihua Huang, Yijie Ding et al. · Combinatorial chemistry & hi... · 0 citations