Automate the process of assessing the fit between proposed structure and experimental data, so that only ambiguous or inconsistent structures have to be evaluated manually
Capture all the data around metabolite identification research with our 'Biotransformation ELN' and build a knowledgebase to share with colleagues in your laboratory and throughout your organization. Easily create biotransformation maps (with Markush structures) and link all the relevant information, including live analytical data, to individual metabolites.
Quickly identify suitable chromatographic methods or find good starting points for your separation. Automate data collection and target method screens using structure-based queries to find appropriate columns, mobile phase solvents and buffers, and conditions.
Use our software tools for multiple analytical techniques to accelerate impurity profiling, and easily create a knowledgebase of analytical and chemical information.
For the IP arena ACD/Labs provides a chemical nomenclature package that is focused on providing non-ambiguous and accurate names. The most challenging areas of nomenclature are covered, with name-to-structure capabilities and other tools to aid prior art searches.
Use ACD/Labs physicochemical property and ADMET predictors to gain a better understanding of the structures you are working with, or hope to synthesize; and investigate structural optimization based on specific property end-points.
Ensure library integrity with automated assessment of compound purity, and compound recognition using LC/MS, UV, and other available analytical information in our vendor-neutral analytical software.
Reduce screening time and generate a knowledgebase of separations to speed up the process of compound purification.
Quickly verify the consistency of a proposed structure with your experimental spectral data, and reduce the burden routine interpretation.
