AMBRosia

Connecting On-Demand Synthesis with Chemical Space Exploration

Created in collaboration with Ambinter, a brand of Greenpharma, AMBrosia connects ultra-large Chemical Space exploration with make-on-demand synthesis. Its latest release offers more than 2.4 trillion virtual product molecules, giving medicinal and computational chemists an extensive source of starting points for hit discovery and compound optimization.

Explore compounds around a molecule of interest, search for alternative scaffolds, or identify candidates for your target. Selected compounds can be requested directly from Ambinter for synthesis and delivery to your lab.
Created in close collaboration with Ambinter, AMBrosia combines 313,777 building blocks through 54 chemical reactions, implemented as 131 technical reactions, to define 2,440,635,639,301 virtual product molecules.
Building blocks are selected using BioSolveIT filter rules to support favorable physicochemical properties for early-stage drug discovery. AMBrosia’s reaction-based architecture links each retrieved product to its constituent building blocks and transformations, providing tangible compounds can be ordered directly from Ambinter for synthesis and delivery.

Traits
  • Make-on-demand
  • Drug-like properties
  • Plethora of decorated scaffolds
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2.4 x 1012
AMBrosia

AMBrosia Hitting Trillions — The October 2026 Update

The October update expands AMBrosia from approximately 126 billion to 2.44 trillion virtual products.
A larger building-block pool and additional reactions bring substantially more combinations into reach for compound exploration.

AMBrosia October Update at a Glance

  • 50+ chemical reactions
  • 300,000 building blocks
  • 2,440,635,639,301 virtual product molecules

Changes in this Update

  • ~20-fold increase in virtual products
  • ~5× more building blocks
  • 12 new reactions

The Evolution of AMBrosia

Since its launch in February 2024, AMBrosia has grown from 110 billion virtual compounds to 126 billion in June 2025, and now to more than 2.4 trillion in its third version, released in October 2026.

Together with Ambinter, we are extremely proud of how this Chemical Space has evolved. The latest release brings a nearly 20-fold increase in virtual products over the previous version, alongside richer chemical diversity.
This evolution reflects our shared commitment to connecting vast virtual possibilities with tangible chemistry.

Case Study:
Investigating Scaffold Diversity in AMBrosia

As part of AMBrosia’s quality assessment, we explored its scaffold diversity using a benchmark set of 2,917 bioactive compounds (Neumann et al.). Each compound served as a query for a SpaceLight search using ECFP4 fingerprints, retrieving 100 results per query.

The resulting 291,700 compounds represented 132,108 distinct Bemis–Murcko scaffolds, highlighting the breadth of scaffold diversity within the retrieved results. For 706 queries, more than half of the 100 results had an ECFP4 Tanimoto similarity above 0.5, demonstrating substantial coverage of similar chemistry for these bioactive compounds.

Together, these findings illustrate AMBrosia’s potential to provide relevant analogs while offering a broad range of scaffolds for further exploration in drug discovery.

How To Explore AMBrosia

Explore AMBrosia through complementary ligand- and structure-based approaches. In infiniSee, use Scaffold Hopper to discover pharmacophorically similar compounds, Analog Hunter to find close fingerprint-based analogs, or Motif Matcher to search for specific substructures. The corresponding command-line tools (FTrees, SpaceLight, and SpaceMACS) support integration into your own workflows. For structure-based discovery, Chemical Space Docking® in SeeSAR screens AMBrosia within your target’s binding site to identify promising candidates with favorable interactions.
Access with infiniSee

Access with infiniSee

Explore AMBrosia with BioSolveIT’s Chemical Space navigation platform, infiniSee. Search over 2.4 trillion virtual product molecules for relevant chemistry on standard hardware, with results delivered within seconds to minutes depending on the query and search settings. Three complementary search modes help you find compounds suited to your drug discovery objectives:
  • Scaffold Hopper (FTrees): Finds compounds with similar pharmacophoric features, enabling exploration beyond the query’s scaffold.
  • Analog Hunter (SpaceLight): Identifies close analogs using Tanimoto fingerprint similarity.
  • Motif Matcher (SpaceMACS): Retrieves molecules containing an exact substructure or sharing the largest common substructure with your query.

AMBrosia can also be explored using the corresponding command-line tools: FTrees, SpaceLight, and SpaceMACS.

Check out infiniSee

Want to Take It into the 3D World?

Chemical Space Docking® brings structure-based screening to AMBrosia, allowing you to explore its vast Chemical Space directly within your target’s binding site. Integrated into our drug design dashboard SeeSAR, it efficiently identifies molecules with favorable binding-site interactions on standard hardware.
Keep your discovery workflow in-house, explore promising compounds in a user-friendly environment, and retain full control over your project data and results.
Read about C-S-D

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