From Library Design to Compound Delivery – Data Managment in a CRO Perspective
Data management and the seamless support of the design-production workflows play a key role in the life of a CRO company. No matter if it is about building blocks, libraries, off-the-shelf compounds or custom synthesis, automation is one of the important factors when it comes to a reliable and high-quality service.
The presentation will provide an insight into the library design workflows implemented in KNIME using ChemAxon’s Standardizer, Reactor and calculator tools. A custom-built ELN-LIMS inventory system will also be discussed, demonstrating the role of the advanced structure handling provided by JChem in the data flow of the production system implemented within ComInnex.