Dotmatics, a provider of scientific informatics solutions and services has announced Version 5.2 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.
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 automation and to allow integration with existing third-party software already within organisational 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
- 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 normalisation 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.
