Rational selection of training and test sets for the development of validated QSAR models
University of North Carolina at Chapel Hill
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Abstract
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708
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- FWCI
- 13.47
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- 100%
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Authors
6- AGAlexander GolbraikhCorresponding
University of North Carolina at Chapel Hill
- MSMin Shen
University of North Carolina at Chapel Hill
- ZXZhiyan Xiao
University of North Carolina at Chapel Hill
- YXYun-De Xiao
University of North Carolina at Chapel Hill
- KLKuo‐Hsiung Lee
University of North Carolina at Chapel Hill
Topics & keywords
Topics
Keywords
- Quantitative structure–activity relationship
- Loo
- Test set
- Artificial intelligence
- Training set
- Predictive power
- Cross-validation
- Computer science
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