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Design of a Fragment Library that maximally represents available chemical space.
M. N. Schulz
J. Landström
K. Bright
Roderick E. Hubbard
Published in:
J. Comput. Aided Mol. Des. (2011)
Keyphrases
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design space
design process
building blocks
chemical compounds
design tools
design methodology
engineering design
computer aided
vector space
database
knowledge based systems
low dimensional
high dimensional
expert systems
multiscale
decision making
data sets