Flexible Alignment of Small Molecules Using the Penalty Method.

Whanchul Shin Seung Ah Hyun Chong Hak Chae Jae Kyung Chon

Published in: J. Chem. Inf. Model. (2009)

Keyphrases

detection method
cost function
significant improvement
experimental evaluation
synthetic data
high precision
small number
high accuracy
classification method
fully automatic
image alignment
multiresolution
k means
probabilistic model
computationally efficient
optimization method