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Virtual Screening with Generative Topographic Maps: How Many Maps Are Required?
Iuri Casciuc
Yuliana Zabolotna
Dragos Horvath
Gilles Marcou
Jürgen Bajorath
Alexandre Varnek
Published in:
J. Chem. Inf. Model. (2019)
Keyphrases
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topographic maps
virtual screening
geometric objects
contour lines
chemical structures
similarity searching
drug discovery
feature extraction
similarity search