DSE-HNGCN: Predicting the frequencies of drug-side effects based on heterogeneous networks with mining interactions between drugs and side effects.

Evaluating the frequencies of drug-side effects is crucial in drug development and risk-benefit analysis. While existing deep learning methods show promise, they have yet to explore using heterogeneous networks to simultaneously model the various relationship between drugs and side effects, highlighting areas for potential enhancement. In this study, we propose DSE-HNGCN, a novel method that leverages heterogeneous networks to simultaneously model the various relationships between drugs and side effects.

MultiModRLBP: A Deep Learning Approach for Multi-Modal RNA-Small Molecule Ligand Binding Sites Prediction.

This study aims to tackle the intricate challenge of predicting RNA-small molecule binding sites to explore the potential value in the field of RNA drug targets. To address this challenge, we propose the MultiModRLBP method, which integrates multi-modal features using deep learning algorithms. These features include 3D structural properties at the nucleotide base level of the RNA molecule, relational graphs based on overall RNA structure, and rich RNA semantic information.

Deep-Learning-Based End-to-End Predictions of CO Capture in Metal-Organic Frameworks.

Metal-organic frameworks (MOFs) have become an active topic because of their excellent carbon capture and storage (CCS) properties. However, it is quite challenging to identify MOFs with superior performance within a massive combinatorial search space. To this end, we propose a deep-learning-based end-to-end prediction model to rapidly and accurately predict the CO working capacity and CO/N selectivity of a given MOF under low-pressure conditions.