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Golbraikh, A., Shen, M., Xiao, Z., Xiao, Y., Lee, K., & Tropsha, A. (2003). Rational Selection of Training and Test Sets for the Development of Validated QSAR Models. Journal of Computer-Aided Molecular Design, 17, 241-253.
https://doi.org/10.1023/a:1025386326946

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