CHEMINFORMATICS

StarDrop 5

24 March 2011

Optibrium

The next generation of StarDrop will be officially launched by Optibrium at the American Chemical Society (ACS) National Exposition later this month. Designed to help guide scientists' decisions to quickly identify compounds for drug discovery projects, the platform now features the Nova module for generating new chemistry ideas, prioritised against specific property profile requirements. Nova expands the chemistry around an initial compound based on medicinal chemistry transformation rules, ensuring that they are chemically feasible. Independent tests have shown that more than 94 per cent of generated compound structures were acceptable to medicinal chemists.

In addition to an initial library of more than 200 transformations derived from literature and provided with Nova, chemistry knowledge can be transferred between medicinal chemists by defining their own transformation rules, flagging favourites and grouping rules tailored to specific goals. Further upgrades to StarDrop 5 include enhanced data visualisation and new functionality to perform mathematical calculations, helping users to explore data and produce graphs, histograms and chemical spaces that can be easily included in reports.

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