Despite being made from a relatively simple set of building blocks, ribonucleic acid (RNA) has a broad array of complex responsibilities. From providing structure to carrying the instructions for ...

IUPAC defines constitution and conformations, which in turn defines all molecules and materials through the specific connectivity of distinct sets of atoms placed at specific relative coordinates (x,y ...

Representing a molecule in a way that captures both its structure and function is central to tasks such as molecular property prediction, drug drug interaction prediction, and drug target interaction ...

Translating mass spectra into chemical structures is a central challenge in exposomics, making it difficult to quickly track the millions of chemicals found in humans and the environment. Unlike ...