970 million druglike small molecules for virtual screening in the chemical universe database GDB-13.
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.
Blum
Lorenz C
LC
Department of Chemistry and Biochemistry, University of Berne, Freiestrasse 3, CH-3012 Berne, Switzerland.
Reymond
Jean-Louis
JL
D000465:Algorithms; D016208:Databases, Factual; D015195:Drug Design; D015394:Molecular Structure; D004364:Pharmaceutical Preparations / Q000737:chemistry*; D054852:Small Molecule Libraries / Q000737:chemistry*
D004364:Pharmaceutical Preparations; D054852:Small Molecule Libraries