Automatic application of Matsy method for matched series analysis within StarDrop™ will guide compound optimisation in drug discovery

Optibrium™ and NextMove Software, developers of software and chemoinformatics solutions for drug discovery, today announced an agreement to collaborate on the integration of NextMove Software’s Matsy technology with Optibrium’s StarDrop software suite.  The combination of these technologies will help guide scientists to quickly identify novel compounds based on matched molecular series analysis with a high chance of success for their drug discovery projects.

The Matsy algorithm has been developed by NextMove Software to generate and search databases of matched molecular series to identify chemical substitutions that are most likely to improve target activity (J. Med. Chem., 2014, 57(6), pp 2704–2713). This goes beyond conventional ‘matched molecular pair analysis’ by using data from longer series of matched compounds (and not just pairs) to make more relevant predictions for a particular chemical series of interest. As part of the collaboration with Optibrium, Matsy will be applied in StarDrop’s Nova™ module, which automatically generates new compound structures to stimulate the search for optimisation strategies related to initial hit or lead compounds. StarDrop’s unique capabilities for multi-parameter optimisation and predictive modelling will enable efficient prioritisation of the resulting ideas to identify high quality compounds with the best chance of success.

Dr Matthew Segall, Optibrium’s CEO, commented: “We are delighted to announce our collaboration with NextMove Software, which has a proven track record of developing innovative informatics solutions for pharma companies world-wide. We remain committed to working with NextMove and our other partners to provide access to the leading compound optimisation technologies through StarDrop’s unique environment that guides efficient discovery of novel, high quality drugs.”

Dr Roger Sayle, CEO of NextMove Software added “We are excited to be working together with Optibrium to combine the Matsy technology with StarDrop’s intuitive interface for compound generation.”

The results of this collaboration will be available in a future version of StarDrop, expected to be released during 2015.

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