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Comparison of Confirmed Inactive and Randomly Selected Compounds as Negative Training Examples in Support Vector Machine-Based Virtual Screening.
Kathrin Heikamp
Jürgen Bajorath
Published in:
J. Chem. Inf. Model. (2013)
Keyphrases
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randomly selected
drug discovery
virtual screening
negative training examples
chemical structures
similarity searching
chemical compounds
data mining
active learning
scientific data
positive examples
machine learning
training data
reinforcement learning
graph cuts
negative examples