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Virtual screening of DrugBank database for hERG blockers using topological Laplacian-assisted AI models.
Hongsong Feng
Guo-Wei Wei
Published in:
Comput. Biol. Medicine (2023)
Keyphrases
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database
chemical structures
databases
data model
probabilistic model
data sets
database systems
machine learning
pairwise
high dimensional
data points
database management systems
high dimensional data
complex systems