Nicole C Kleinstreuer1, Weida Tong2, Igor V Tetko3. 1. National Institute of Environmental Health Sciences (NIEHS), NTP Interagency Center for the Evaluation of Alternative Toxicological Methods (NICEATM), 530 Davis Drive, Research Triangle Park, North Carolina 27560, United States. 2. National Center for Toxicological Research, 3900 NCTR Road, Jefferson, Arkansas 72079, United States. 3. Institute of Structural Biology, Helmholtz Zentrum München - German Research Center for Environmental Health (GmbH), Ingolstädter Landstraße 1, D-85764 Neuherberg, Germany.