Metabolism studies, impurity and degradant tracking and identification, and targeted and non-targeted screening often incorporate the use of several analytical techniques, including NMR, MS, and Chromatography.

ACD/Labs offers software to facilitate these activities, including optimization and method development tools for chromatographic separations, tools for deconvolution and resolving mixtures, spectral matching, and interpretation software for computer-assisted structure elucidation (CASE) using NMR