#deep learning

This work presents a fused deep learning framework for drug repositioning. By integrating heterogeneous biomedical signals within a unified predictive architecture, the study improves prioritization of repurposing…

Structure-based molecular docking, a cornerstone of computational drug design, is undergoing a paradigm shift fueled by deep learning (DL) innovations. However, the rapid proliferation of DL-driven docking methods…

Drug discovery and development constitute a laborious and costly undertaking. The success of a drug hinges not only on good efficacy but also on acceptable ADMET properties. ChemMORT is an automatic ADMET optimization…

ABC-Net proposes a divide-and-conquer architecture for translating molecular images into SMILES strings. By decomposing the recognition problem into coordinated sub-tasks, the model improves robustness across diverse…

An automatic ADMET optimization platform using deep learning and multi-objective particle swarm optimization. - Supports multi-objective molecular optimization. - Combines learning-based models with swarm optimization.…