Published October 25, 2020 | Version 1.0.0
Dataset Open

Compound Database for eQuilibrator

Creators

  • 1. Weizmann Institute of Science
  • 2. DTU

Description

An indexed database of compounds from the MetaNetX, reference database version 3.1.

Structures are enriched with information using OpenBabel and ChemAxon.

 

Notes

The database was ported from Quilt. Version 1.0.0 in Zenodo corresponds to the latest version on Quilt (package = equilibrator/cache, version = 2.10, hash = d11d9ebd1cf25d95d8c1369a8ca2bbe46eb734f8b2b9a4225f16de614104e12c)

Files

README.md

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Additional details

Related works

Is derived from
Software: https://gitlab.com/equilibrator/equilibrator-cache (URL)