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Brute-force pharmacophore assessment and scoring with Open3DQSAR.
Paolo Tosco
Thomas Balle
Published in:
J. Cheminformatics (2011)
Keyphrases
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brute force
search quality
computationally expensive
exhaustive search
candidate set
quality assessment
scoring model
locality sensitive hashing
computer chess
data sets
machine learning
reinforcement learning
scheduling problem
nearest neighbor