PRESS RELEASE

ChemBook

IDBS has added a new functionality to its ChemBook electronic laboratory notebook (ELN). Extending its partnership with cheminformatics software provider ChemAxon, IDBS has added the Reactor engine, known as the Parallel Synthesis add-on, to support chemists’ workflows, synthesising libraries of compounds in a parallel fashion.

A high-performance library enumeration engine which produces synthetically relevant virtual libraries, ChemAxon’s Reactor delivers an efficient, automated workflow that saves time and improves upon best practices in the lab. Chemists can define a generic reaction, a set of reactant structures and combine the two to enumerate and iteratively tune a set of product compounds and discrete reactions on a high-throughput scale.

Virtual compound libraries can be created, which can be generated under extensive manual control. Users can draw and edit reactants directly, run and tune reactions to achieve real-world products. This approach is particularly useful for enumerating small, focused libraries and the ChemBook user interface ensures that all IP is captured and stored in-house.

Company: 
Feature

For functionality and security for externalised research, software providers have turned to the cloud, writes Sophia Ktori

Feature

Robert Roe looks at the latest simulation techniques used in the design of industrial and commercial vehicles

Feature

Robert Roe investigates the growth in cloud technology which is being driven by scientific, engineering and HPC workflows through application specific hardware

Feature

Robert Roe learns that the NASA advanced supercomputing division (NAS) is optimising energy efficiency and water usage to maximise the facility’s potential to deliver computing services to its user community

Feature

Robert Roe investigates the use of technologies in HPC that could help shape the design of future supercomputers