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The intricate interplay between RNA molecules and small ligands plays a pivotal role in regulating biological processes, underscoring the necessity for accurate prediction models of RNA–small molecule binding sites. In this study, we develop CapBind, a novel interpretive deep learning framework utilizing a Capsule Network architecture, to precisely identify RNA–small molecule binding sites. This framework stands out for its multifaceted approach, which leverages both the sequence and structural information of RNA as input features, allowing for a thorough understanding of the complex interactions between RNA and small molecules. Leveraging multi-source bioinformatics data, including the distribution of RNA secondary structures, our model characterizes sequence and structural features with unparalleled depth. Through a unified alignment of these multi-source feature representations, we achieve …