Drug Discovery

Our drug discovery platform is deployed broadly by the global biopharma industry and validated by our collaborators' success across a variety of targets. 



The Schrödinger platform integrates predictive physics-based methods with machine learning techniques to accelerate drug discovery. Our iterative process is designed to accelerate evaluation and optimization of chemical matter in silico ahead of synthesis and assay. The most promising compounds emerging from each round of experimental project chemistry are then further optimized through additional cycles of computation analysis.

The result: Our platform enables discovery of high-quality, novel molecules more rapidly, at lower cost, and we believe with a higher likelihood of success compared to traditional methods.

Hit to Development Candidate in 10 months: Rapid discovery of a novel, potent MALT1 inhibitor

Read the Case Study

Our platform's proprietary capabilities:

Faster Lead Discovery

The ability to rapidly identify potent molecules suitable to initiate hit-to-lead and lead optimization efforts via solutions for virtual screening...

Accurate Property Prediction

The ability to assess key properties of drug-like molecules using physics-based calculations with accuracy comparable to that of experimental...

Large-Scale Molecule Exploration

The ability to computationally ideate and explore novel, high-quality drug-like molecules for consideration by discovery project teams utilizing...

Large-Scale Molecule Evaluation

The ability to scale our calculations of key drug properties to ultra-large idea sets of over a billion molecules to enable more rapid and...

Integrated Data Management and Visualization

The ability to generate, access, and analyze the data derived from complex calculations integrated with assay data through a powerful and user-...
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