Tuesday, February 9, 2010
Optibrium launched StarDrop 4.3. The intuitive software offers advantages over traditional predictive modeling platforms as it helps users to identify chemistries with a high chance of success and focus expensive in-house resources. StarDrop 4.3 guides compound selection and design decisions in all stages of drug discovery. StarDrop 4.3 is the first major update to StarDrop from Optibrium, helping scientists to select high quality drug candidates with confidence, improving efficiency and productivity.
StarDrop 4.3 is an interactive software platform that helps drug discovery scientists to guide their decisions while designing and prioritising molecules with the aim of achieving an optimal balance of properties. By combining predicted (in silico) properties for molecules with measured in vitro and in vivo data, this integrated desktop tool enables scientists to rapidly identify and design high quality molecules to meet their project’s objectives.
The software takes into account the potential errors to provide scientists with a rigorous analysis on which to make rational decisions. The data available in drug discovery typically have a high degree of uncertainty due to experimental variability or predictive error. StarDrop 4.3 is software that enables confident decisions to be made despite all of this uncertainty. Additional new enhancements to StarDrop 4.3 include the “Molecule View” feature which goes beyond traditional ‘table’ views of data sets and enables users to drag and drop properties to customize layout for viewing and printing and scroll through their compounds viewing all properties together. In the Molecule View, StarDrop’s Glowing Molecule visualisation feature highlights regions of candidate molecules which may have the most influence on predicted properties, allowing users to test new ideas interactively with instant feedback. In addition, the toolbar allows users to easily switch between views facilitating quick access to key features.
New features unique to StarDrop 4.3 include more flexible data set views. Users can now freeze individual columns in the table view and organize the order and layout of properties across all views. Direct printing support enables users to print individual molecules with data from both table and molecule views. In addition, the range of powerful Gaussian Process methods in StarDrop’s Auto-Modeller has been extended to provide new techniques for building classification models. Details of this approach and example applications can be read on Optibrium’s Community site at www.optibrium.com/community/publications/94-gpcategory
Optibrium, www.optibrium.com