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Toward better QSAR/QSPR modeling: simultaneous outlier detection and variable selection using distribution of model features.
Dongsheng Cao
Yizeng Liang
Qingsong Xu
Yifeng Yun
Hongdong Li
Published in:
J. Comput. Aided Mol. Des. (2011)
Keyphrases
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variable selection
outlier detection
linear models
neural network
probabilistic model
databases
feature vectors
cross validation
image sequences
classification accuracy
probability distribution
support vector machine
least squares
dimensionality reduction
dimension reduction