The data, presented at the American Society of Clinical Oncology conference, showed some tumours shrank by around a quarter.
The compound will now be taken into more advanced trials.
Scientists said we were now in an explosive stage of merging advances in computing with medicine.
Spotting every difference between a cancerous and a healthy cell is beyond even the brightest human minds.
So the US biotechnology company Berg has been feeding as much data as its scientists could measure on the biochemistry of cells into a supercomputer.