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Article
Open AccessAsymmetric bagging and feature selection for activities prediction of drug molecules
Activities of drug molecules can be predicted by QSAR (quantitative structure activity relationship) models, which overcomes the disadvantages of high cost and long cycle by employing the traditional experimen...
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Combining support vector regression with feature selection for multivariate calibration
Multivariate calibration is a classic problem in the analytical chemistry field and frequently solved by partial least squares (PLS) and artificial neural networks (ANNs) in the previous works. The spaciality...