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Molecular structures enumeration and virtual screening in the chemical space with RetroPath2.0.
Mathilde Koch
Thomas Duigou
Pablo Carbonell
Jean-Loup Faulon
Published in:
J. Cheminformatics (2017)
Keyphrases
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virtual screening
molecular structures
drug discovery
chemical structures
similarity searching
augmented reality
high throughput
database
three dimensional
vector space
data mining
binding sites
scoring function
machine learning
dna sequences