Enhanced Chemical Descriptions and Support for HELM in Bioregister 3.2

By Andrew LeBeau | Friday, September 13, 2019 - 21:29 UTC
Bioregister 3.2

Enhancements focused on supporting the growing diversity of non-natural biological entities 

Dotmatics has today announced Bioregister 3.2, an updated release of the company’s system for registering and managing biological entities as part of the development of novel biologic compounds. This latest version of Bioregister adds further capabilities for non-natural and chemically-modified biologics, support for the emerging HELM standard for macromolecule notation, and streamlined workflows for bulk registration procedures, ensuring that Bioregister 3.2 remains one of the most comprehensive biologics registration systems available. 

One of the key emerging aspects of biologics research and development is the development of non-natural biologics, where directed chemical modifications of a natural biologic entity type is performed to create a new entity type with desired functional characteristics. These exciting developments place additional burdens on informatics systems to ensure that they can fully and accurately represent the newly engineered entity type. For example, a biological registration system that defines sequence-based entities in the traditional manner of a series of letters representing the constituent residues, can miss fundamental and defining characteristics of the entity. “Only through a full chemistry representation of the entity can uniqueness be completely determined and verified”, said Stephen Gallagher, Founder and CEO of Dotmatics. Gallagher continues “Moreover, a full chemical representation allows for chemistry-based querying of biological entities, providing more precise search results. These factors are central to organizations such as drug discovery companies, in managing and protecting their valuable intellectual property. Dotmatics, with its pedigree in both chemistry and biology, is one of a very few informatics providers who fulfill these needs.”

Bioregister 3.2 also integrates the Pistoia Alliance’s HELM Web Editor, supporting the emerging HELM standard for notation and sharing of macromolecular entities. Bioregister also now generates and stores entity definition in HELM format.

New capabilities in Bioregister 3.2 include:

  • Full chemical representation of natural and non-natural entities
  • Integration of the Pistoia Alliance HELM Web Editor as well as generation and storage of HELM notation
  • Simplified and streamlined bulk registration workflows, driving greater consistency in entity definition and providing a better experience for users
  • Higher resolution definitions of chirality and cross-links for non-natural residues
  • Improved property calculations for complexes
  • Soft-delete for entities – deleted entities are retained in the system but hidden from view

To learn more about the new features in Bioregister, please view the “What’s New in Bioregister 3.2 ” webinar.
 

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