Rational selection of training and test sets for the development of validated QSAR models. - Alexander Golbraikh; Min Shen; Zhiyan Xiao; Yun-De Xiao; Kuo-Hsiung Lee; Alexander Tropsha (J. Comput. Aided Mol. Des., 2003)

Genetic algorithms and self-organizing maps: a powerful combination for modeling complex QSAR and QSPR problems. - Ersin Bayram; Peter Santago II; Rebecca Harris; Yun-De Xiao; Aaron Clauset; Jeffrey D. Schmitt (J. Comput. Aided Mol. Des., 2004)

Combinatorial QSAR of Ambergris Fragrance Compounds. - Assia Kovatcheva; Alexander Golbraikh; Scott Oloff; Yun-De Xiao; Weifan Zheng; Peter Wolschann; Gerhard Buchbauer; Alexander Tropsha (J. Chem. Inf. Model., 2004)

Supervised Self-Organizing Maps in Drug Discovery. 1. Robust Behavior with Overdetermined Data Sets. - Yun-De Xiao; Aaron Clauset; Rebecca Harris; Ersin Bayram; Peter Santago II; Jeffrey D. Schmitt (J. Chem. Inf. Model., 2005)

Supervised Self-Organizing Maps in Drug Discovery. 2. Improvements in Descriptor Selection and Model Validation. - Yun-De Xiao; Rebecca Harris; Ersin Bayram; Peter Santago II; Jeffrey D. Schmitt (J. Chem. Inf. Model., 2006)