November 26, 2014 11:26 PM ET

Health Care Technology

Company Overview of OpenEye Scientific Software, Inc.

Company Overview

OpenEye Scientific Software, Inc. develops molecular modeling applications and toolkits to the pharmaceutical industry. The company primarily focuses on drug discovery and design areas for chemical informatics, fragment replacement, structure generation, docking, shape comparison, electrostatics, crystallography, and visualization applications. It offers a portfolio of molecular modeling applications presented as a workflow involving ligand- and structure-based design strategies; and toolkits, which are programming libraries for creating customized applications with object-oriented accessibility to a given set of capabilities. The company also provides pKa databases that represent the conver...

9 Bisbee Court

Suite D

Santa Fe, NM 87508

United States

Founded in 1997





Key Executives for OpenEye Scientific Software, Inc.

Vice President of Finance
Senior Vice President of OE Tech
Senior Vice President of Development
Senior Vice President of Research
Compensation as of Fiscal Year 2014.

OpenEye Scientific Software, Inc. Key Developments

OpenEye Announces Release of OpenEye Toolkits v2014.Jun

OpenEye announced the release of the OpenEye Toolkits v2014.Jun. This version features important new capabilities in the Szybki and Omega toolkits, support for new platforms (RHEL 7 and Ubuntu 14.04), and numerous stability enhancements. In response to popular request, the C# toolkits are now available by default to all toolkit users. Existing users may require an updated license file to access the C# toolkits. New features are • FreeForm, OpenEye's innovation in the estimation of the entropy and free energy of the unbound ligand, included as an API in Szybki TK. Full hydrogen sampling has been added to Omega TK. Improvements - All Toolkits: Java and C# are considerably more stable now due to much more conservative use of stack based memory allocation in all OpenEye toolkits. Stack memory allocation had been causing non-deterministic crashes in environments with limited stack space. Improvements - Java: Java 8 is fully supported. Multiple OpenEye jars can be combined together to make platform independent runnable jars. The architecture of the JVM is now detected, and the appropriate shared library will be loaded. OpenEye jars are now cryptographically signed. Use jarsigner -verify to verify the jar. Improvements and Fixes - Python: Python 3.3 is now officially supported. Python 3.3+ has been thoroughly tested since the previous release. Python 3.4 is also supported and is binary compatible with Python 3.3. As such, OpenEye Python 3.x distributions will just be labeled 'python3', except for Windows. All python examples are compatible with both Python 2 and Python 3. A more straight forward error message is displayed when an ImportError exception is raised due to a mismatch between the running Python interpreter version and the Python interpreter version the OpenEye Toolkits were built against. Fixed a bug in OpenEye’s platform detection that would sometimes not recognize CentOS 6 as a RedHat 6 Linux distribution. General Notices: Added support for Ubuntu 14.04, a long term support distribution that OpenEye will support for 4 years. This release will be the last release to support Ubuntu 10.04 . Added support for RHEL 7 . This is the next major release from RedHat that will be supported for at least 5 years. OpenEye will soon be phasing out support for RHEL 5 . RHEL 5 users should be planning their upgrade now. To start the phase out, this will be the last release to support the following on RHEL 5: Python 2.6, gcc 4.3, gcc 4.4. This release will be the last release to support OSX 10.7. The next release, 2014.Oct, will be the last release to support Visual Studio 2008 for C++ and C# toolkits. Deprecated APIs will now throw a warning message once, and only once, for the lifetime of the process calling the API. All documentation examples shipped in the distribution should now have documentation markup removed.

OpenEye Announces Release of OpenEye Toolkits v2013.Oct

OpenEye announced the release of OpenEye Toolkits v2013.Oct. Languages supported include C++, Python, .NET and Java. Some of the highlights of this release are: Python toolkits have been repackaged to work with Python packaging systems such as virtualenv and pip. "ROCS report" looks even better and is now built into Grapheme TK to make integration with any ROCS workflow even easier. A significant bug fix for Java on Linux. Java toolkit users on Linux should see greatly improved stability. The OpenEye Toolkits are now available for download. Existing licenses will continue to work.

Core Informatics and OpenEye Scientific Software Forge Partnership

Core Informatics LLC and OpenEye Scientific Software, Inc. announced a new partnership and the integration of OpenEye cheminformatics software into Core Informatics' web-based Laboratory Information Management System (Core LIMS) and Electronic Lab Notebook (Core ELN). The Core LIMS and Core ELN offer a wide array of features through a flexible component-based architecture that provides organizations with individually tailored data management solutions. Core Informatics' introduction of an OpenEye powered Chemical Registration Application enables user access to the robust chemistry handling processes available in OpenEye's cheminformatics suite within the Core LIMS. OpenEye's focus on quality chemistry, speed and data integrity enable extraordinary performance in capabilities such as compound registration, unique compound identification, search and retrieval of exact and similar molecules, enhanced structure visualization, and reaction handling. Examples of this focus include use of canonical isomeric SMILES to uniquely identify compounds, multiple language translation, and a curated set of useful calculated properties.

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