SYBYL-X 2.1 offers improved job control and increased QSAR accessibility
ST. LOUIS, MO – Aug. 6, 2013 – Certara™, a leading provider of software and scientific consulting services to improve productivity and decision-making from drug discovery through drug development, today announced the release of version 2.1 of its SYBYL®-X molecular modeling and simulation suite. SYBYL-X is a comprehensive suite of computer-aided design tools developed to expedite drug design and other molecular discovery projects, from high throughput screening to late lead optimization.
“Our goal is to optimize the efficiency and effectiveness of the drug design and discovery processes,” said Dr. Brian Masek, SYBYL-X product manager and lead scientist at Certara “Clients asked us to improve SYBYL-X job control, and make our QSAR technology more easily available for inclusion in external workflows. We are confident they will be pleased with the results.”
SYBYL-X 2.1 features a new Job Control System, which replaces Netbatch, and provides a consistent interface across the entire tool suite. This change allows jobs to be submitted remotely from Windows®, Linux®, or Mac® to any Linux system where SYBYL-X is installed. Compatible with popular job queuing systems like Oracle® Grid Engine, LSF®, and Torque®, the Job Control System also provides improved multi-processor support for key applications such as Surflex-Sim®, Surflex-Dock®, Topomer Search™, and UNITY®.
In addition, a Python® Toolkit for 3D-QSAR makes QSAR functionality accessible outside of SYBYL-X as standalone Python scripts. Results from Python jobs can now be read into SYBYL-X using a new readXML expression generator.
SYBYL-X 2.1 also includes updates to the Molecular Data Explorer, Surflex-Dock, CScore™, Protein Viewer, and the QSAR Project Manager.
Furthermore, Certara has developed a novel business model that enables its clients to take advantage of the efficiencies gained by distributed computing in a cost-effective manner. Certara offers Distributed Computing Site licenses that permit Surflex-Sim, Surflex-Dock, Topomer Search, and UNITY to be installed on an unlimited number of computers and hardware platforms, including clouds, at a particular site, thus providing unlimited use of the tool for all the scientists working there.
Existing SYBYL-X customers can download this new version of SYBYL-X by logging onto their profile at www.tripos.com and clicking on “downloads” on the main page.
Certara is dedicated to improving human health by delivering a broad spectrum of software products and consulting services, spanning molecular discovery to clinical development, with special focus on supporting translational approaches to drug development. A leading provider of model-based drug development tools, Certara was formed by the acquisition and integration of industry leaders Tripos®, Simcyp™, and Pharsight® Corporation. Each Certara family brand focuses on a key phase within the drug discovery and development process; combined, they offer a unique set of scientific modeling, analysis, and simulation capabilities that can enable the cross-disciplinary approaches necessary for translational science initiatives.
Certara™, Tripos®, Pharsight®, SYBYL®-X, Topomer Search™, UNITY® and CScore™ are trademarks of Certara, L.P. All other trademarks cited here are the property of their respective owners.
Diana O’Rourke, 314-951-3310
Director of Marketing
Lisa Osborne, 206-992-5245
Rana Healthcare Solutions