Synple Space

Trillions of Desired Compounds Made Accessible via Automated Synthesis

The Synple Space was created by Synple Chem to connect automated synthesis with the potential of an ultra-large Chemical Space to provide hits found in silico as real, tractable molecules for discovery workflows.

The Synple Space is a purpose-built, automation-ready universe of tractable chemistry that turns design ideas into reality. In its first iteration, it features 1,011,599,924,757 virtual product molecules that can be quickly realized on Synple Chems's automated platform. At the core is rapid virtual library hit synthesis, so promising ideas don't stall at the bench but are actually made.

Ultra-large, diverse Chemical Space
Automated, cartridge-based synthesis for consistent, low-touch runs
Virtual-to-reality in only a few weeks.

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What Makes Synple Space Unique?

Bridging virtual to vial: Any molecule you discover in Synple Space can be made on demand on their in-house instruments to be delivered to your table.
Screenable on standard hardware: The Space can be explored in seconds to minutes using BioSolveIT's infiniSee platform, making ultra-large libraries practically navigable for early discovery.
Built-in automation: A cartridge-based workflow standarizes reactions and workups, reducing hands-on time while boosting reproducibility and speed.
Orthogonal methods to create custom libraries: BioSolveIT offers several similarity parameters that can be used to generate tailored, enumerated libraries from the content of the Synple Space for computational workflows.
Accessible for structure-based approaches: Chemical Space Docking® makes it possible to perform virtual screening campaigns utilizing the trillion-sized Synple Space.

How BioSolveIT and Synple Synergize

Together, BioSolveIT and Synple close the loop from design to make: Trillion-scale search meets on-demand, automated synthesis, all in a local environment built for speed and control.

Offline and air-gapped by design: Searches run entirely on local machines. No data leaves your environment which is ideal for IP-sensitive and regulated settings.
Parameterizable CLI: Rich, tunable command-line controls leave you in full control for the search runs to fine-tune your results.
Much faster than standard approaches: Ligand-based retrieval returns candidates in seconds to minutes, and Chemical Space Docking® samples smater than exhaustive screening, reducing computational costs to only a fraction.
From virtual to vial: Hits identified in the software are on-demand synthesizable on Synple instruments, enabling rapid follow-up and iteration.

Access with infiniSee

Synple Space Space can be conveniently explored using BioSolveIT's Chemical Space navigation platform, infiniSee. Trillions of entries can be searched for relevant chemistry within seconds to minutes. Various search algorithms are available to identify the best matches for the objectives of a drug discovery project.

Of course, Synple Space can also be accessed using the corresponding command-line versions of the modes (FTrees, SpaceLight, SpaceMACs).

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Want to Take It into the 3D World?

Chemical Space Docking™ also enables structure-based screening of the Synple Space within your target of interest. Executed within our drug design dashboard SeeSAR, molecules forming the most favorable interactions in the binding site can be efficiently mined on standard hardware, and without a connection to the internet.

This allows in-house projects to be streamlined without the involvement of third parties; you will work in a user-friendly environment with full control over your results.

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