Metabolite name to SMILES string database

CSIRO 2026 Dataset Open access

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Authors: Juan Pablo Molina Ortiz, Mariana Velasque
DOI: 10.25919/w3f4-2a55
Cited by: 0

Abstract

This dataset is a curated compilation of metabolite identifiers and structural descriptors generated as part of the Fast Metabolic Network Models project within the AEB FSP. Chemical structure information was retrieved from PubChem. BiGG Models identifiers are redistributed under the BiGG academic licence (copyright © 2019 The Regents of the University of California). ModelSEED identifiers originate from the ModelSEED database. CSIRO holds copyright over the compilation and structure of this dataset.

Fields of Study & Subjects

Microbial Metabolic Engineering and Bioproduction Bioinformatics and Genomic Networks Gene Regulatory Network Analysis

Publication details

Journal / source
CSIRO
Publication date
1 January 2026
Language
EN
Document type
Dataset