Bristol Myers Squibb (BMS) plans to deploy Bunsen, an AI agent for molecular calculations

Bristol Myers Squibb (BMS) plans to deploy Bunsen, an AI agent for molecular calculations

On August 5, Schrödinger announced an agreement with BMS. The companies will jointly develop Bunsen, and BMS also plans to use RetroSynth, a program that designs synthesis routes for selected molecules.

Drug discovery begins with selecting a target protein, which is a protein in the body whose activity the drug is intended to alter. A chemist then compares candidate molecules, calculates their properties, and decides which candidates should undergo laboratory testing.

According to the Bunsen description, a researcher states a scientific objective in ordinary language. The agent translates that objective into a sequence of calculations on the Schrödinger platform, runs them, and returns an interpretation of the results. In this way, it brings together the calculations required for the chemist's task, while physical models estimate the properties of candidate molecules.

Once the calculations are complete, the selected molecule must be assembled from available substances. RetroSynth identifies and evaluates sequences of chemical reactions and checks the proposed reactions. This connects the selection of a molecule directly to a route for producing it in the laboratory.

On July 20, BMS described its plan to combine two computing clusters. The clusters are intended to provide research teams with shared data and computing capacity. Bunsen is expected to assemble the sequence of calculations needed for a specific molecular task, while RetroSynth is expected to assess whether the selected molecule can be synthesized. After completing the calculations and checking the synthesis route, a chemist can select candidates for laboratory testing.