An industry–academia collaboration has led to the development of a tool that combines infrared and proton NMR spectroscopy ...

Computational Chemistry is the study of complex chemical problems using a combination of computer simulations, chemistry theory and information science. Also called cheminformatics, this field enables ...

Recently, SandboxAQ launched what it claims is the largest publicly available dataset of protein-ligand pairs with annotated experimental binding potency data. According to the company, the ...

WASHINGTON, Aug. 20, 2025 — How do you identify something no one has a test for? Designer drugs replicate the effects of known, illicit drugs but evade law enforcement. The chemical structure ...