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Cross Validation

Cross validation is a model evaluation method that is better than residuals. The problem with residual evaluations is that they do not give an indication of how well the learner will do when it is ...
Frontiers

MLP-Based Regression Prediction Model For Compound Bioactivity

1 School of Statistics and Mathematics, Zhejiang Gongshang University, Hangzhou, China 2 Collaborative Innovation Center of Statistical Data Engineering, Technology and Application, Zhejiang Gongshang ...
IEEE

Cross-validation techniques for determining the number of correlated components between two data sets when the number of samples is very small

Abstract: We consider the problem of estimating of the number of components that are correlated between two sets of high-dimensional data. In many applications the number of available samples is very ...
C&EN

Developing QSAR Models with Defined Applicability Domains on PPARγ Binding Affinity Using Large Data Sets and Machine Learning Algorithms

Chemicals may cause adverse effects on human health through binding to peroxisome proliferator-activated receptor γ (PPARγ). Hence, binding affinity is useful for evaluating chemicals with potential ...