Automatic application of Matsy method for matched series analysis within StarDrop™ will guide compound optimisation in drug discovery
CAMBRIDGE, UK, 15 January, 2015 – 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. For further information on Optibrium and StarDrop, please visit www.optibrium.com/stardrop/, contact info@optibrium.com or call +44 1223 815900.
For further information on Matsy or NextMove Software’s other products and services, please visit www.nextmovesoftware.com or contact info@nextmovesoftware.com.
ENDS
Notes to Editors:
Media contact
Sarah Jeffery
Zyme Communications
E-mail: sarah.jeffery@zymecommunications.com
Phone: +44 (0) 7771 730919
Optibrium
Nick Foster
Director, Business Development
E-mail: nick@optibrium.com
Phone: +44 (0)1223 815900
NextMove Software
Roger Sayle
CEO and Founder
E-mail: roger@nextmovesoftware.com
About Optibrium Ltd.
Optibrium provides elegant software solutions for small molecule design, optimisation and data analysis. Optibrium’s portfolio of products includes:
• StarDrop™, which brings confidence to the selection and design of high quality candidate compounds. StarDrop creates an intuitive, highly visual and flexible environment to facilitate and speed up lead identification and optimisation, quickly targeting effective candidate compounds with a high probability of success downstream.
• Sentira™, an easy-to-use, dynamic data visualisation platform that helps to quickly spot patterns in compound data, analyse structure-activity relationships and elegantly present and report results.
• Asteris™, an iPad app that enables researchers to explore new compound ideas when and where they want, by combining highly intuitive chemistry drawing tools with StarDrop’s visually informative predictive modelling.
Founded in 2009, Optibrium continues to develop new products and research novel technologies to improve the efficiency and productivity of the drug discovery process. Optibrium works closely with its broad range of customers and collaborators that include leading global pharma, agrochemical and flavouring companies, biotech and academic groups. Visit the online community at http://www.optibrium.com/community/ for further discussions on improving the productivity of drug discovery.
About NextMove Software Ltd.
NextMove Software develops innovative informatics solutions to support strategic decision making in the pharmaceutical and chemical industries. NextMove Software’s portfolio of products includes:
• LeadMine, for extracting chemical names and terms from text such as patents
• HazELNut, a suite of tools used to extract, normalise and analyse information in Electronic Lab Notebooks
• Sugar & Splice, for perceiving, naming and depicting biopolymer structures For further information, see http://nextmovesoftware.com
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