Introducing SAVI Space – Taking the Step After Enumeration with the SAVI Space

The SAVI Space (short for Synthetically Accessible Virtual Inventory) is a combinatorial Chemical Space designed for ultra-large scale virtual screening. Developed by the U.S. National Institutes of Health (NIH) and transformed by researchers at the University of Hamburg (ZBH), it marks a technical shift from static molecular libraries to dynamic, synthon-based representations.

This resource utilizes reaction-driven chemistry, where curated LHASA reaction transforms are translated into reaction SMARTS patterns. Instead of storing billions of individual molecules, the space encodes reaction knowledge and compatible synthons, allowing 7.5 × 10⁹ compounds to be represented in a compact format searchable on standard hardware.

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Traits Reaction-driven Chemical Space encoding. High synthetic accessibility by design. Efficient billion-scale exploration on standard hardware. Complementary chemical diversity.

Practical Attributes Reaction knowledge ensures chemical stability. Utilizes curated LHASA reaction transforms. Optimized for rapid similarity searches.

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Integration and Documentation

The SAVI Space can be explored using infiniSee and the command-line exploration Tools (FTrees, SpaceLight, SpaceMACS) for rapid similarity searches or SeeSAR for structure-based screening and Chemical Space Docking.

Detailed methodology and findings are available in the original publication to the SAVI Space.

You can Download SAVI Space along with our other Space offerings here.