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SimBoost: a read-across approach for predicting drug-target binding affinities using gradient boosting machines.
Tong He
Marten Heidemeyer
Fuqiang Ban
Artem Cherkasov
Martin Ester
Published in:
J. Cheminformatics (2017)
Keyphrases
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gradient boosting
loss function
pairwise
relational data
learning machines
relational domains
imitation learning
machine learning
decision trees
bayesian networks
active learning
concept learning
learning scheme
base learners
single feature