Accelrys Releases New Cheminformatics Software Tools
Accelrys Inc., a wholly owned subsidiary Pharmacopeia, Inc. (NASDAQ: ACCL) today announced the release of Accord Chemistry Software Development Kit (SDK) 6.0, the latest version of Accelrys’ leading programmers toolkit for chemical data management applications. SDK 6.0 provides access to the underlying engine behind Accelrys’ Accord Cheminformatics suite of desktop and enterprise products, enabling developers to rapidly write & deploy custom chemical applications using a wide breadth of Accord functionality, such as Combinatorial Chemistry, Property Prediction and Database publishing. Through the Accord Chemistry Engine, users can seamlessly bring together disparate data sources, allowing them to integrate Accord’s chemical algorithms into in-house or 3rd-party applications. New features in version 6.0 include:
- Enhancements to stereochemistry representation with improved recognition, identification, and depiction of stereocenters
- Advanced chemical fingerprinting methods including specification of fingerzones and folding methods
- Markush representation and query searching
- Custom property matching, allowing complex matching both of chemical structures as well as and numerical and text values, which can be associated with individual atoms/bonds and/or the chemistry as a whole
In addition, Accord SDK 6.0 supports new versions of the common file formats, including v3000 molfile and ChemDraw 8 structures and reactions.
“The latest version of Accord SDK delivers the flexibility to let researchers design and build their own chemical applications, and responds to the demand for open standards and high quality chemistry,” said Dr. Scott Kahn, chief science officer, Accelrys. “Accord SDK 6.0 now provides the ideal building blocks for researchers to create their own custom solutions.”
