Press Release: June 11th, 2010
Molegro releases Molegro Data Modeller version 2.5.0
Aarhus, Denmark, June 11th, 2010 - Molegro is pleased to announce a new release of Molegro Data Modeller, a cross-platform application for Data Mining, Data Modelling, and Data Visualization. The built-in features for visualization of chemical structures (SDF and SMILES) make it particularly suitable for QSAR / QSPR modelling and for detailed analysis of docking results from Molegro Virtual Docker.
The highly interactive user interface of Molegro Data Modeller is ideal for fast and intuitive data exploration, as opposed to complex workflow based solutions or command-driven statistical products. Molegro Data Modeller is available for Windows, Linux, and Mac OS X.
New features in version 2.5:
- A new Import Dataset Wizard allows for previewing CSV datasets before import. It is also possible to filter the dataset based on a descriptor and to import a row range of a dataset.
- New Apply Model to External Dataset dialog for applying regression and classification models to external CSV files without importing all the data into main memory. This makes it possible to make predictions on large datasets only limited by disk size.
- Offline model predictions from the command line making it possible to integrate MDM in automated workflows.
- Compare Training / Test Set dialog for measuring how close data points in a given test set are to the data points used for model training. The dialog can be used to check if test data belongs to the same domain as the training data - if not, model predictions might not be reliable.
- Diversity Statistics dialog for analysing the diversity of a given data set.
- Minor user interface improvements and bug fixes (see Release Notes for details).
For more information, or to download a trial version, please visit our company website at: http://www.molegro.com or contact:
Rene Thomsen, CEO
Molegro
C. F. Moelles Alle 8, Bldg. 1110
DK-8000 Aarhus
Denmark
E-mail: rt@molegro.com
Phone: (+45) 89 42 31 65
About Molegro
Molegro is a Danish company founded in 2005. Our company concentrates on developing high-performance drug discovery solutions leading to a faster drug-development process. Our goal is to provide scientifically superior products focusing on both state-of-the-art algorithms and an intuitive graphical user interface experience.