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Exploring Activity Profiles of PAINS and Their Structural Context in Target-Ligand Complexes.
Vishal B. Siramshetty
Robert Preissner
Björn-Oliver Gohlke
Published in:
J. Chem. Inf. Model. (2018)
Keyphrases
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context sensitive
contextual information
database
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structural information
learning algorithm
image sequences
high precision
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structural analysis
user activity