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Visualisation and subsets of the chemical universe database GDB-13 for virtual screening.
Lorenz C. Blum
Ruud van Deursen
Jean-Louis Reymond
Published in:
J. Comput. Aided Mol. Des. (2011)
Keyphrases
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chemical structures
virtual screening
database
drug discovery
similarity searching
chemical compounds
binding sites
databases
high throughput
database management systems
data mining
database systems
metadata
data sets
data collection
similarity search
data management
data model
scoring function
query processing