Author(s): Oprea TI, Tropsha A, Faulon JL, Rintoul MD
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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.
This article was published in Nat Chem Biol
and referenced in Journal of Proteomics & Bioinformatics