Schrödinger, Bayer collaborate to co-develop de novo design technology to accelerate drug discovery

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.

"Underscoring our efforts in digital transformation along our value chain, our collaboration with Schrödinger is intended to leverage advanced physics-based methods and modern machine learning capabilities to increase discovery of viable drug candidates," said Dr. Karl Ziegelbauer, Head of Open Innovation & Digital Technologies at the Pharmaceuticals Division of Bayer AG. "The new co-developed technological solution is aimed at opening up new avenues for therapeutic discovery in the future, ultimately for the benefit of the patients."

"We admire Bayer’s passion for innovation and commitment to leverage cutting-edge technology to overcome global health challenges," said Schrödinger CEO Ramy Farid, Ph.D. "Our mission statement echoes those goals, and we are proud to realize that vision through this collaboration. The de novo design solution, built on the complementary strengths of Schrödinger and Bayer, holds the promise of accelerating the discovery of novel medicines for important unmet needs."

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