This is a review of atomic pair distribution function (PDF) analysis as applied to the study of
molecular materials. The PDF method is a powerful approach to study short-and …

This Review aims to summarize advances over the last 15 years in the development of
active pharmaceutical ingredient ionic liquids (API-ILs), which make up a prospective game …

Pharmaceutical drugs are an important part of the global healthcare system, with some
estimates suggesting over 50% of the world's population takes at least one medication per …

To be effective as a drug, a potent molecule must reach its target in the body in sufficient
concentration, and stay there in a bioactive form long enough for the expected biologic …

Ionic liquids are remarkable chemical compounds, which find applications in many areas of
modern science. Because of their highly tunable nature and exceptional properties, ionic …

Graph neural networks (GNNs) have been widely used in molecular property prediction, but
explaining their black-box predictions is still a challenge. Most existing explanation methods …

The main challenges in drug delivery systems are to protect, transport and release
biologically active compounds at the right time in a safe and reproducible manner, usually at …

Solubility, bioavailability, permeation, polymorphism, and stability concerns associated to
solid-state pharmaceuticals demand for effective solutions. To overcome some of these …

Polyvinylpyrrolidone (PVP) is a hydrophilic polymer widely employed as a carrier in the
pharmaceutical, biomedical, and nutraceutical fields. Up to now, several PVP-based …

Deep generative adversarial networks (GANs) are the emerging technology in drug
discovery and biomarker development. In our recent work, we demonstrated a proof-of …