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Leveraging 3D chemical similarity, target and phenotypic data in the identification of drug-protein and drug-adverse effect associations.
Santiago Vilar
George Hripcsak
Published in:
J. Cheminformatics (2016)
Keyphrases
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chemical compounds
drug discovery
data sets
data points
adverse effect
data collection
similarity measure
data structure
data sources
virtual screening
database
training data
data analysis
distance measure