Unified Data Model (UDM)

This project created an open, extendable, and freely available data format for the exchange of experimental information about compound synthesis and testing

Overview

The Unified Data Model (UDM) project released UDM Version 6.0 in 2020. The original unified representation of chemical reactions was co-developed by Elsevier and Roche with contributions from other pharmaceutical companies. It was donated to the Pistoia Alliance in 2017 so that our members could collaborate to extend the model to support additional requirements, and increase its adoption as a vendor-agnostic experimental reaction/data format standard.

Key features of UDM version 6 included:

Stabilization of the format for reaction data
Improved support for analytical data
Detailed information on data provenance
An optional entity to represent sample information
Allowing citation and molecule details inside reaction variations
Fixing data types for several entities and improved semantics
Using a standard (Allotrope-compatible) vocabulary for units of measure
Allowing environmental, health and safety data
New sample data sets in the UDM format

Version 6.0 was released in February 2020 delivers a stable release with a number of enhancements:

Inclusion of controlled vocabularies compatible with existing standards:
Units of measure – QUDT ontology as adopted by Allotrope with extensions
Countries – ISO 3166 plus commonly used variants
Reaction classes – based on the MOP and RXNO ontologies
Analytical methods and result types – based on Allotrope Foundation Taxonomies
Support for embedding and referencing of analytical data
More detailed information on data provenance (authors’ affiliations, organisations)
Support for samples
Support for citations and molecules inside reaction variations to support simplified conversion from RD files
Fixed semantic and data types of several entities and many others