Author

Sabrina de Azevedo Silveira

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#graph neural networks Open access Oct 2026

NoiTox: A Machine Learning Strategy for Peptide Toxicity Prediction Reveals Label Noise in Benchmark Datasets

Motivation Peptide toxicity remains a major bottleneck in drug development, as small sequence variations can drastically alter cytotoxic profiles. Experimental assessment is costly and time-consuming, motivating computational predictors. Existing approaches often rely on single black-box architectures, limiting interpr...

Gustavo O. Almeida, Matheus C. Albuquerque, Bruno M. Silva et al. · bioRxiv · 0 citations

#graph neural networks Open access Oct 2026

Mitigating Class Imbalance in Graph-Structured Data via Hierarchical Learning: Insights from Protein Binding Site Prediction

Learning from imbalanced data remains a major challenge for graph neural networks (GNNs), as minority nodes are not only rare but also structurally marginalized within the graph. We address this issue with CLARA, a hierarchical learning framework that decomposes node classification into two stages: a coarse subgraph-le...

Vinícius de Almeida Paiva, Leandro Marcolino, Sandro Izidoro et al. · bioRxiv (Cold Spring Harbor... · 0 citations