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Mappability of drug-like space: towards a polypharmacologically competent map of drug-relevant compounds.
Pavel Sidorov
Héléna A. Gaspar
Gilles Marcou
Alexandre Varnek
Dragos Horvath
Published in:
J. Comput. Aided Mol. Des. (2015)
Keyphrases
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drug discovery
chemical compounds
space time
drug design
virtual screening
higher dimensional
semantic space
real world
knowledge discovery
information retrieval systems
closely related
biological systems
pharmaceutical industry
physico chemical