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. Download slides