Advancing mutagenicity predictions in drug discovery with an explainable few-shot deep learning framework

Luis H. M. Torres,Sofia M. da Silva,Joel P. Arrais,Catarina Pimentel,Bernardete Ribeiro

Published 2025 in Digital Discovery

ABSTRACT

Meta-GTMP is a few-shot GNN-Transformer framework that predicts Ames mutagenicity by learning from strain-specific tasks. It integrates graph embeddings and self-attention using a meta-learning strategy to generalize from limited data.

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