Collaborators

InChI Trust

InChI Trust

The InChI Trust develops and supports the non-proprietary IUPAC InChI (International Chemical Identifier) standard and promotes its uses to the scientific community. The Trust’s goal is to enable the interlinking and combining of chemical, biological and related information, using unique machine-readable chemical structure representations to facilitate and expedite new scientific discoveries.

The RSC is a founder member of the Trust, and is proud to support further developments.

InChI Trust 2011 Certified

The InChI certification suite is a software package developed and designed to check that an installation of the InChI program has been performed correctly. The programs test an installation against a broad set of structures (which are provided with the suite). The ‘Certified’ logo here indicated that ChemSpider has passed the tests provided by the InChI certification suite.

ACD/Labs – Provider of Physicochemical Property Prediction and Nomenclature Generation Algorithms

ACD/Labs

Advanced Chemistry Development, Inc. (ACD/Labs), serves chemical and pharmaceutical companies, academic and government institutions worldwide with cutting-edge software that facilitates decision making and helps to streamline research and development efforts. ACD/Labs’ solutions for scientists and managers include fast and accurate prediction of molecular physical properties and nomenclature generation (some of these tools are available through ChemSpider web site), software for property-based structure design, metabolite identification, preformulation, analytical data processing and interpretation, and chemical databasing. ACD/Labs’ freeware chemical drawing package, ACD/ChemSketch is readily available for download.

Over the past decade, ACD/Labs has developed one of the most comprehensive integrated software for NMR, MS, HPLC, Raman, and IR on the market. Characterized by easy-to-use chemometric applications, processors, and managers, ACD/Labs’ molecular spectroscopy software is actively used in both industrial and academic research facilities around the world.

OpenEye – Provider of Nomenclature and Physicochemical Property Prediction Algorithms and Structure Visualization Tools

OpenEye Scientific Software

OpenEye Scientific Software Inc., (www.eyesopen.com) 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 software is typically 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.

Accelrys, Inc.

Accelrys software and scientific databases.

Accelrys, a leading provider of scientific innovation lifecycle management software, supports industries and organizations that rely on scientific innovation to differentiate themselves. The industry-leading Accelrys Enterprise Platform provides a broad, flexible scientific solution optimized to integrate the diversity of science, experimental processes and information requirements across the research, development, process scale-up and early manufacturing phases of product development. By incorporating capabilities in applications for modeling and simulation, enterprise lab management, workflow and automation, and data management and informatics, Accelrys enables scientific innovators to access, organize, analyze and share data in unprecedented ways, ultimately enhancing innovation, improving productivity and compliance, reducing costs and speeding time from lab to market.

Accelrys solutions are used by more than 1,300 customers in the pharmaceutical, biotechnology, energy, chemicals, aerospace, consumer packaged goods and industrial products industries. Headquartered in San Diego, Calif., Accelrys employs more than 200 full-time PhD scientists. For more information about Accelrys, visit www.accelrys.com.

 

iChemLabs

iChemLabs: Cheminformatics algorithms, visualization and graphics.

iChemLabs™ produces high quality applications and libraries that are both accessible and affordable to students and scientists. We intend to reach as many users as possible and to bring solutions to the scientists that need them. Therefore, it is a goal of ours to support all operating systems including Linux, all web browsers for our web technologies, and all platforms including mobile devices.

iChemLabs currently produces the ChemDoodle® brand of products. ChemDoodle desktop is a very popular desktop chemical publishing software used by thousands of institutions all around the world, ChemDoodle Mobile is the mobile companion to the desktop software, and the ChemDoodle Web Components library is an open source HTML5 toolkit for chemical graphics and interfaces. iChemLabs partners with leaders across the scientific and educational industries, including RSC ChemSpider.

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