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. 2009 Jul 1;131(25):8732-3.
doi: 10.1021/ja902302h.

970 million druglike small molecules for virtual screening in the chemical universe database GDB-13

Lorenz C Blum  1 , Jean-Louis Reymond
Affiliations

970 million druglike small molecules for virtual screening in the chemical universe database GDB-13

Lorenz C Blum et al. J Am Chem Soc. .

Abstract

GDB-13 enumerates small organic molecules containing up to 13 atoms of C, N, O, S, and Cl following simple chemical stability and synthetic feasibility rules. With 977,468,314 structures, GDB-13 is the largest publicly available small organic molecule database to date.

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