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. 2007 Aug;3(8):447-50.
doi: 10.1038/nchembio0807-447.

Systems chemical biology

Tudor I Oprea  1 , Alexander Tropsha, Jean-Loup Faulon, Mark D Rintoul
Affiliations

Systems chemical biology

Tudor I Oprea et al. Nat Chem Biol. 2007 Aug.

Abstract

The increasing availability of data related to genes, proteins and their modulation by small molecules has provided a vast amount of biological information leading to the emergence of systems biology and the broad use of simulation tools for data analysis. However, there is a critical need to develop cheminformatics tools that can integrate chemical knowledge with these biological databases and simulation approaches, with the goal of creating systems chemical biology.

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Figures

Figure 1
Figure 1
A simplified representation of the glyoxylate pathway, extracted from KEGG. Object information, such as chemical structures, is one click away in KEGG, but have been added here for clarity.
Figure 2
Figure 2
Conceptual representation of the systems chemical biology approach, applied to the glyoxylate pathway. Input boxes illustrate various levels of simulation.
See this image and copyright information in PMC

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