From owner-chemistry@ccl.net Mon Jan 19 16:56:01 2009 From: "Rene Thomsen rt(-)molegro.com" To: CCL Subject: CCL: Molegro releases Molegro Data Modeller v2.0.0 Message-Id: <-38462-090119164636-31970-Y6BUNPTNASUpgLTgpcJGxg : server.ccl.net> X-Original-From: "Rene Thomsen" Date: Mon, 19 Jan 2009 16:46:32 -0500 Sent to CCL by: "Rene Thomsen" [rt||molegro.com] Aarhus, Denmark, January 19th, 2009 - Molegro is pleased to announce a new release of Molegro Data Modeller, a cross-platform application for Data Mining, Data Modelling, and Data Visualization. Molegro Data Modeller offers a high-quality modelling tool based on state-of-the-art data mining techniques combined with a user interface experience focusing on usability and productivity. 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 2.0: * Classification models: MDM now supports the following multi-class classification models: K-Nearest Neighbor and Support Vector Machines with Linear, Radial, Sigmoid, and Polynomial kernel functions. The classification models support automatic optimization of model parameters and feature selection. * Chemistry module: MDM is now able to show 2D depictions of molecules. Molecules may be imported in SDF format or as SMILES strings. Molecules may be depicted inside the spreadsheet cells or in a separate grid window. It is also possible to visualize the molecules directly in the 2D plotter and optionally cluster overlapping molecules. * A new Bivariate Analysis dialog for analyzing classification results (confusion matrix, precision / recall, F-measure, and several other measures). * A new threshold-based clustering method. * Minor user interface improvements and bug fixes (see Release Notes for details). To download a trial version, please visit our company website at: http://www.molegro.com. For more information contact: Rene Thomsen, CEO Molegro C. F. Moelles Alle, 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.