1. Department of Computer Sciences, University of Wisconsin−Madison, Madison, Wisconsin 53706, United States
2. Morgridge Institute for Research, Madison, Wisconsin 53715, United States
3. Department of Information and Computer Science, King Fahd University of Petroleum & Minerals, Dhahran 31261, Saudi Arabia
4. Small Molecule Screening Facility, University of Wisconsin−Madison, Madison, Wisconsin 53792, United States
5. Department of Biomolecular Chemistry, University of Wisconsin−Madison, Madison, Wisconsin 53706, United States
6. McArdle Laboratory for Cancer Research, University of Wisconsin−Madison, Madison, Wisconsin 53705, United States
7. Department of Biostatistics and Medical Informatics, University of Wisconsin−Madison, Madison, Wisconsin 53792, United States