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Chemspace Atlas: Multiscale Chemography of Ultralarge Libraries for Drug Discovery.
Yuliana Zabolotna
Fanny Bonachéra
Dragos Horvath
Arkadii I. Lin
Gilles Marcou
Olga Klimchuk
Alexandre Varnek
Published in:
J. Chem. Inf. Model. (2022)
Keyphrases
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drug discovery
multiscale
chemical compounds
virtual screening
pharmaceutical industry
early stage
systems biology
multimedia
scientific data
data mining
biological systems
discovery process
data sets
data mining tools
databases