Dotmatics 5.1

The Dotmatics Suite 5.1 release contains a new cheminformatics product, Dotmatics Reaction Workflows, major updates the to the Dotmatics Register and Dotmatics Studies applications, a new Dotmatics Browser structure searching capability Minpoint, along with infrastructure and API enhancements. The improvements in 5.1 are designed to enhance the end user experience, making scientists more productive in their daily work. The improvements will also benefit research IT administrators and developers by enhancing security capabilities, easier deployment and management, and providing more options to integrate Dotmatics with third party software already existing within organizational informatics landscapes.

Reaction Workflows: Graphical Scientific Data Processing

Dotmatics Reaction Workflows is a graphical environment that lets scientists build and execute data processing workflows to perform common cheminformatics tasks, such as library enumeration, structure normalization and compound profiling

Dotmatics Studies: User Interfaces for Screening

A new, improved Dotmatics Studies user interface for assay data analysis to make scientists more productive

  • New data views across multiple plates, with plate statistics preview
  • New statistics views across the experiment
  • New analysis results page with interactive curve overlays

 

Dotmatics Register: New User Interface and Third Party Cartridge Integration

New user interfaces in Dotmatics Register to streamline the registration process for single compounds and batches

Optional curation/registrar workflow for within company or CRO submissions

Register can now be configured to use 3rd party chemical cartridges for structure deduplication and storage

Dotmatics Minpoint: Cartridge-less Chemistry Search

Very high performance substructure searching on large collections of chemical structures stored in files not in a database

Easy to deploy large structure collections (e.g ChemBL, vendor catalogs) without needing to build and maintain a database

File-based fingerprint indexing with automatic updates on structure file changes

Infrastructure: New Security, Scripting and RESTFul APIs

Single sign on for the Dotmatics suite: SAML authentication – generic, OKTA or Centrify

Expanded collection of RESTful APIs including creating experiments, inserting plates from external inventory into screening and user/project/group management

New scripting interfaces to define data pre-processing prior to loading into Dotmatics Studies experiments