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Dotmatics Announces Immediate Availability of 5.2 Informatics Suite with Major New Chemistry, Reaction Workflows, and Register Capabilities

Enhanced API offers improved functionality and ease of use

by Dotmatics
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Dotmatics ReactionWorkflows14

Bishops Stortford, England – Nov 1, 2017 - Dotmatics, a leading provider of scientific informatics solutions and services, today announced Version 5.2, a new release of the company’s informatics suite designed to enhance the end user experience and make scientists more productive. 

Key upgrades include a completely redesigned Dotmatics Chemselector application for searching large databases and major new capabilities in Dotmatics Reaction Workflows and Dotmatics Register.  Chemselector provides access to millions of reagents and screening compounds with up to date pricing and availability. Reaction Workflows is a graphical environment that enables scientists to build and execute data processing workflows to perform common cheminformatics tasks. Register is a web-based chemical registration systems used to maintain corporate registry and reagent databases.  

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Dotmatics Chemselector

The new version contains out-of-the-box integrations between Dotmatics and third party software.  Additional improvements benefit research IT administrators and developers by providing new RESTFul APIs for automations and to allow  integration with existing third party software already within organizational informatics landscapes. 

“5.2 is the culmination of Dotmatics and third party tools all brought together in an easy to use, fully functional and integrated informatics platform, said Alastair Hill, Dotmatics director and chief technical officer. “Major enhancements in the user experience are designed to improve functionality and automate formerly time consuming tasks enabling scientists to be more productive.” 

Advanced Chemselector capabilities include:

  • Fully integrated with Vortex and Reaction Workflows
  • Very high performance search of comprehensive databases
  • Ability to search eMolecules highly curated multi-million compound reagent and screening collections and filter by properties, substructure, supplier, and availability data
  • Capability to bring large public databases in-house so that scientists do not have to send proprietary queries over the internet

New Reaction Workflows functionality in 5.2 includes:

  • Integration with Studies Notebook allowing users to automatically generate notebook experiments for single compounds or parallel libraries directly from an enumeration workflow
  • Deploy workflows to a wider audience with a simple portal webpage allowing users to upload starting reagents and/or molecules and download products
  • Integration with Chemselector

New Register features include:

  • Streamlined registration process for single compounds and batches
  • Ability to configure third party chemical cartridges for structure deduplication and storage
  • Addition of MarvinJS to the list of alternative sketchers supported in Register
  • New structure normalization workflow 

Customers with existing module licenses receive the 5.2 upgrades as part of their license. For more information, please register to attend the 5.2 webinar on January 24 at 8:00 am Pacific or watch 5.2 videos on Chemselector,  Reaction Workflows, and Register.   

About Dotmatics:

Dotmatics is a leading global scientific informatics software and services provider, delivering solutions tailored to the modern, highly collaborative and mobile scientific environments. The company provides solutions to several vertical markets, including the pharmaceutical, biotechnology, academia, food and beverage, oil and gas, and agrochemical industries. Dotmatics’ enterprise solutions are flexible, scalable and configurable, providing effective scientific information management across entire organizations, from discovery research to development and early manufacturing. Dotmatics has significant expertise in scientific informatics, including database management for chemistry and biologics, electronic laboratory notebooks, chemical and biological registration, screening data management, SAR analysis, reporting, and visualization. Dotmatics solutions are available for local or cloud deployment and supported on Microsoft Windows, Mac OS X, and Linux. For more information visit