Schrödinger and Bayer announced a five-year technology alliance to develop a comprehensive de novo design solution with the objective to accelerate the discovery of innovative high-quality drugs. The technology is expected to be capable of enumerating, screening, and scoring billions of synthetically feasible, virtual compounds supporting the identification and optimization of potential new therapeutic candidates. Under the terms of the agreement, Schrödinger is expected to receive about €10 million.

The de novo design software will integrate the power of Schrödinger's molecular design technology, which relies on physics-based modeling augmented by machine learning, with Bayer's proprietary in silico models predicting compound absorption, distribution, metabolism, excretion, toxicity (ADMET) and chemical synthesizability. The new software will be built on Schrödinger's enterprise informatics solution, LiveDesign, and is intended to rapidly design large numbers of molecules and predict their properties.