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Molecular Complexity and Its Impact on the Probability of Finding Leads for Drug Discovery.
Michael M. Hann
Andrew R. Leach
Gavin Harper
Published in:
J. Chem. Inf. Comput. Sci. (2001)
Keyphrases
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drug discovery
virtual screening
drug design
chemical compounds
pharmaceutical industry
early stage
biological systems
quantitative structure activity
scientific data
discovery process
real world
database
systems biology
medical images
machine learning
data mining
databases