EQuilibrator 3.0: a database solution for thermodynamic constant estimation.

ABSTRACT: eQuilibrator (equilibrator.weizmann.ac.il) is a database of biochemical equilibrium constants and Gibbs free energies, originally designed as a web-based interface. While the website now counts around 1,000 distinct monthly users, its design could not accommodate larger compound databases and it lacked a scalable Application Programming Interface (API) for integration into other tools developed by the systems biology community. Here, we report on the recent updates to the database as well as the addition of a new Python-based interface to eQuilibrator that adds many new features such as a 100-fold larger compound database, the ability to add novel compounds, improvements in speed and memory use, and correction for Mg2+ ion concentrations. Moreover, the new interface can compute the covaria

SUBMITTER: Beber ME 

PROVIDER: S-EPMC8728285 | biostudies-literature | 2022 Jan

REPOSITORIES: biostudies-literature