ACD/Labs announces software updates

ACD/Labs has announced its annual updates for its Spectrus and Percepta platform applications. Key highlights include: a better integrated lab with hardware and software; democratised knowledge and accessible data; and expansion of functionality in browser-based apps. There is new functionality for particular areas. In MS, spectra can be annotated with fragment structures to capture and share knowledge, and there is an updated peak integration algorithm. In NMR, there is improved chemical structure verification functionality and the introduction of new tools to determine absolute molecular configuration. In property prediction, there is more at-a-glance data for bulk predictions to help assess the quality of results, and significant enhancements to the interpretability of compound safety assessment in support of decision making for regulatory submissions involving ICH M7 guidelines.