Noesis to Build upon OpenEye’s Cheminformatics Toolkit OEChem

OpenEye Scientific Software, Inc., the developer of innovative molecular modeling and cheminformatics solutions for drug discovery research, and Noesis ChemoInformatics Ltd, a new developer of lead discovery software emphasizing knowledge extraction and management, today announced they entered into an agreement to allow the incorporation of OpenEye’s OEChem into Noesis’ NSISToolkit.

OEChem, OpenEye’s programming library for chemistry and cheminformatics, will provide functionalities including SMILES parsing, SMARTS compiling, and substructure searching within NSISToolkit, the flagship product from Noesis that supports compound selection, molecular library and de novo design.

“We are very pleased that OEChem’s speed, flexibility and robustness were among the key factors in Noesis’ decision to use our cheminformatics library within its NSISToolkit,” said Dr. Matthew Stahl, Senior Vice President of OpenEye Scientific Software, Inc. “Most of OpenEye’s technologies are made available as toolkits to enable the kind of custom solutions that Noesis creates.” He concluded, “OpenEye remains committed to providing scientifically rigorous toolkits to both end users and third party developers and we look forward to seeing the success of the new Noesis lead discovery tools.”

Christos Nicolaou, Chief Scientific Officer and Founder of Noesis, continued: “NSISToolkit provides applications that aid in the identification and optimization of lead compounds through pharmaceutical knowledge extraction, reuse and management. Such high end applications make use of several fundamental cheminformatics functionalities including substructure mining, compound clustering and chemical scaffold extraction which, in turn, need quick, robust and accurate substructure searching capabilities and general molecular manipulation. The incorporation of OEChem allows NSISToolkit to expand its offerings and provide improved performance to match its users’ needs and expectations.”

About OpenEye

OpenEye Scientific Software Inc. is a privately held company headquartered in Santa Fe, New Mexico, with offices in Boston, Massachusetts and Strasbourg, France. It was founded in 1997 to develop large-scale modeling applications and toolkits. Primarily geared towards drug discovery and design, areas of application include chemical informatics, structure generation, docking, shape comparison, charge & electrostatics 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 HP, IBM, SGI and SUN flavors of UNIX. For further information on the company and its products, see

About Noesis

CNI Noesis ChemoInformatics Ltd is a new research informatics company active in the chemoinformatics and general life sciences fields. The company has extensive experience in the R&D of algorithms and computational systems that support human experts in their decision making process. Noesis technology combines knowledge discovery and management techniques with expertise in biological and chemical data and processes to develop efficient chemoinformatics solutions. Its flagship product, NSISToolkit, addresses fundamental needs of the drug development industry, namely compound selection, lead identification and optimization as well as knowledge management and reuse. The company was founded in 2006 in Nicosia, Cyprus. For more information, please see

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