Optibrium and NextMove Software Announce Technology Collaboration

15 Jan 2015
Sarah Thomas
Associate Editor

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 optimization strategies related to initial hit or lead compounds. StarDrop’s unique capabilities for multi-parameter optimization and predictive modeling will enable efficient prioritization 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.

StarDrop 5 - Drug Discovery Software

Optibrium

StarDrop is a suite of software that helps you to deliver optimally balanced, effective drugs - fast StarDrop works by evaluating complex data, which is often uncertain because of experimental variability or predictive error. In scoring this data, it brings confidence and intuitive simplicity to decision-making: guiding and validating the direction you take and which compounds you prioritise. Its instantly interactive tools then enable you to efficiently explore ways to further improve your chosen chemistries.Highly visual and easy-to-use, StarDrop also works with your existing IT systems to integrate a multiplicity of data sources. The latest release, version 5.5, comes with extensive data visualisation tools, which now include interactive 3D scatter and chemical space plots.StarDrop's modules include predictive ADME models, P450 metabolism prediction, automatic model building, application of 3D SAR based on Cresset's Field technology, knowledge based toxicity prediction through Derek Nexus while the Nova module can be used for automatically generating new compound ideas in parrallel with the BIOSTER database.StarDrop 5 - Drug Discovery Software Features: Probabilistic Scoring Chemical space Glowing Molecule Data visualisation R-group analysis StarDrop 5 Optional Modules: ADME QSAR Auto-Modeller Nova BIOSTER P450 torch3D Derek Nexus MPO Explorer

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Optibrium and NextMove Software Announce Technology Collaboration