https://www.researchgate.net/publication/246600746_KDD_Cup_2001_Data_Analysis_Prediction_of_Molecular_Bioactivity_for_Drug_Design-Binding_to_Thrombin (beliebiger Volltext)
Weston, J., Perez-Cruz, F., Bousquet, O., Chapelle, O., Elisseeff, A., & Schölkopf, B. (2001). KDD Cup 2001 data analysis: prediction of molecular bioactivity for drug Design-Binding to Thrombin. In KDD-2001 Cup: The Genomics Challenge.