- L. C. Blum, J.-L. Reymond, 970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13, J. Am. Chem. Soc., 131:8732, 2009
- M. Rupp, A. Tkatchenko, K.-R. Müller, O. A. von Lilienfeld: Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning, Physical Review Letters, 108(5):058301, 2012.