Artificial intelligence (AI), and, in particular, deep learning as a subcategory of AI, provides
opportunities for the discovery and development of innovative drugs. Various machine …

Artificial intelligence (AI) is a transformative technology used in various industrial sectors
including healthcare. In pharmacy practice, AI has the potential to significantly improve …

Abstract Motivation Drug–drug interactions (DDIs) are one of the major concerns in
pharmaceutical research. Many machine learning based methods have been proposed for …

Abstract Graph Convolutional Neural Networks (Graph CNNs) are generalizations of
classical CNNs to handle graph data such as molecular data, point could and social …

Genome-scale network reconstructions have helped uncover the molecular basis of
metabolism. Here we present Recon3D, a computational resource that includes three …

The entire world has been suffering from the coronavirus disease 2019 (COVID‐19)
pandemic since March 11, 2020. More than a year later, the COVID‐19 vaccination brought …

Interventional pharmacology is one of medicine's most potent weapons against disease.
These drugs, however, can result in damaging side effects and must be closely monitored …

The emergence of large-scale genomic, chemical and pharmacological data provides new
opportunities for drug discovery and repositioning. In this work, we develop a computational …