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FOR IMMEDIATE RELEASE
OPENEYE ADDS
FINGERPRINTS TO ITS CHEMINFORMATICS PORTFOLIO
Santa Fe, NM, November 10th, 2009 — OpenEye Scientific Software, Inc., the
developer of innovative molecular modeling and cheminformatics solutions for
drug discovery, announced today the release of two new toolkits as part of its
v1.7.2 general toolkit release: GraphSim
TK, for performing 2D molecular similarity measurements, and MolProp TK,
derived from OpenEye's FILTER application, for the calculation of 2D molecular properties and the
generation of custom filters.
"A
number of our customers have asked us to add fingerprints to our toolkit
portfolio," explained Dr. Bob Tolbert, Vice President of Development. "We
initially focused on three fingerprint types but are actively evaluating
additional types for future releases."
This
release of GraphSim TK provides access to the following fingerprint types:
MACCS key, LINGO, and a highly customizable implementation of path-based
fingerprints. Users are allowed to set the fingerprint size as well as various
atom/bond types, and can specify the length of the enumerated paths. Six common
similarity indices (Cosine, Dice, Euclidean, Manhattan, Tanimoto, Tversky) are
available, while user-defined similarity measures are also applicable.
"We
are very excited about the release of these two new toolkits as they
significantly expand our investment in cheminformatics and provide a powerful
and convenient solution for OEChem TK users," added Dr. Joseph Corkery, Vice
President of Business Development at OpenEye Scientific Software, Inc.
OpenEye's
existing toolkits also saw significant improvements with the new release,
including the ability to parse stereochemistry in names with Lexichem TK, the
ability to handle certain classes of divalent Selenium compounds with Szybki
TK, and the ability to effectively handle protein alternate locations with
OEChem TK.
About OpenEye
OpenEye
Scientific Software Inc. is a privately held company headquartered in Santa Fe,
New Mexico, with offices in Boston, Massachusetts, Strasbourg, France and Nara,
Japan. It was founded in 1997 to develop large-scale molecular modeling
applications and toolkits. Primarily aimed towards drug discovery and design,
areas of application include chemical informatics, structure generation, docking,
shape comparison, electrostatics, crystallography and visualization. The
software is designed for scientific rigor, as well as speed, scalability and
platform independence. OpenEye makes most of its technology available as
toolkits - programming libraries suitable for custom development. OpenEye
software typically is distributable across multiple processors, supports 64-bit
processing, and runs on Linux, Windows and Mac OS X, as well as IBM and SUN
flavors of UNIX. For further information on the company and its products, see www.eyesopen.com
FOR ADDITIONAL INFORMATION
OPENEYE SCIENTIFIC SOFTWARE, INC
Joseph Corkery, Vice President, Business Development
+1 505-473-7385 x76
Email: business@eyesopen.com
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