Concepedia

Systems chemical biology

Tudor I. Oprea, Alexander Tropsha, Jean‐Loup Faulon, Mark Daniel Rintoul

Nature Chemical Biology · 2007 · 139 citations · 23 references

DOI

References

23

SMILES, a chemical language and information system. 1. Introduction to methodology and encoding rules

David Weininger · Journal of Chemical Information and Computer Sciences · 1988 · 7.6K citations

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Relating protein pharmacology by ligand chemistry

Michael J. Keiser, Bryan L. Roth, Blaine N. Armbruster et al. · Nature Biotechnology · 2007 · 2.4K citations · Full text

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Protein function prediction via graph kernels

Karsten Borgwardt, Cheng Soon Ong, Stefan Schönauer et al. · Computer applications in the biosciences · 2005 · 1.1K citations

, , +13

BRENDA, the enzyme database: updates and major new developments

Ida Schomburg · Nucleic Acids Research · 2003 · 963 citations · Full text

, , +17

Global mapping of pharmacological space

Gaia V. Paolini, Richard H B Shapland, Willem P. van Hoorn et al. · Nature Biotechnology · 2006 · 818 citations

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