The contract is worth £35,000 and with an unnamed major pharma group.
Physiomics' Virtual Tumour is a sophisticated computer model that simulates tumour cell division and predicts the effect of different anti-cancer regimes.
The modelling helps with efficacy and toxicity and identifies the best drug combinations.
Jim Millen, chief executive, said: "We are delighted to be working with a significant new client. If this initial project is successful, we would hope to develop a longer-term relationship."
In November, Physiomics completed a human Virtual Tumour project with Merck following which it signed a master services agreement with the German pharma giant.