The next great molecule is out there. We give you the tools to design it.

Maximize your creativity with the industry-leading computational platform for molecular design, discovery, and collaboration.

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Structure Prediction & Target Enablement

Explore vast chemical space with digital chemistry

Get more from your ideas by harnessing the power of large-scale chemical exploration and highly accurate, in silico property predictions.

“Digital chemistry can expand the pool of hypotheses we can test. Ultimately we can unleash the power of our creativity.”
Adam LevinsonDirector, Therapeutics Group

Solutions for small molecule drug discovery

Structure Prediction &
Target Enablement

Unlock your protein target for high-precision, structure-based design

Comprehensive suite of solutions for protein model refinement, ligand placement, and binding site analysis allows you to unlock a broader range of targets for structure-based design.

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Hit Discovery

Maximize your chances of finding diverse, high-quality hits

Diverse technologies for structure-based and ligand-based screening that enable efficient, large-scale chemical exploration and highly accurate rescoring.

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Hit-to-Lead & Lead Optimization

Design better quality drug candidates, faster

Collaborative design solutions and accurate property predictions to triage compounds and accelerate design-make-test-analyze cycles.

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Drug Formulation

Optimize your drug formulation processes with structure-based insights

Computational solutions for advancing small molecule formulation, from crystalline or amorphous forms to selection of materials and excipients for processing, stability, and delivery.