Dear Reader,

Since our last newsletter we have released new versions of all our products. Some exciting new features have been added to our data modelling product - and our virtual docking and molecular viewer products have been updated with several optimizations and a couple of new features as well.

Read on for more details...

Molegro Data Modeller v1.5 released

On June 12th 2008, we released a new version of Molegro Data Modeller, our cross-platform application for Data Modelling and Data Visualization. The new release contains several new features:

• Regression Model Parameter Tuning. It is now possible to make MDM search for the optimal regression model parameter settings - a feature that can save hours of work! The generated models can be validated using cross-validation, BIC-measure, or using an external dataset.
• High-Dimensional Visualization. Using a simple physical model, our Spring-Mass Map visualization algorithm projects the overall structure of a multi-dimensional dataset onto two or three dimensions. Try our demonstration video for an example of higher-dimensional visualization.
• Improved Correlation Matrix dialog. It is now possible to zoom in and out on datasets with many descriptors. Options for pruning highly correlated descriptors and new coloring schemes have also been added.

Besides these changes many other improvements made it into version 1.5. Be sure to check the complete list of features at the download page (requires logon) or read more about Molegro Data Modeller here.

Molegro Virtual Docker v2.4 released

Version 2.4 (April 11th, 2008) introduces new options for customizing the ligand energy evaluation and adds support for unicode throughout MVD. This update also offers several optimizations and bug fixes.

If you haven't already upgraded Molegro Virtual Docker, you can find the latest version at the download page (requires logon).

Molegro Molecular Viewer has been updated to version 1.1 offering the same optimizations and bug fixes as MVD. Our viewer is free, and can be downloaded here.

Major MVD release coming soon

For the next MVD release we are adding several exciting new features including a molecular descriptor framework (featuring a novel set of topology-based descriptors) and a new model for handling explicit water.

Until then, read more about MVD here...

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