AuriVerse by Aurigene

Created in collaboration between Aurigene Pharmaceutical Services and BioSolveIT, AuriVerse is a precision-engineered virtual chemical library of 4.86 billion novel, synthetically accessible compounds.

AuriVerse is BioSolveIT's first Chemical Space partnership with a company based in India, extending the portfolio into a new region of expert make-on-demand chemistry.

It is built for early-stage hit identification, pairing curated chemical intelligence with validated reaction protocols. Hits found in silico are synthesized and delivered by Aurigene in 6 to 8 weeks, at an average success rate of approximately 60%.

Validated reaction protocols

151,038

In-stock building blocks

4.86 B

Virtual products, searchable and orderable

Make-on-demand: Synthesized to order at Aurigene and delivered to your lab.
Quality-first design: Filtered for drug-likeness and PAINS structural alerts.
Reaction-driven novelty: Proprietary reactions reach differentiated scaffolds with IP potential.
Integrated discovery: Backed by Aurigene's medicinal chemistry and synthesis capabilities.

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4.86 x 10⁹

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What makes AuriVerse unique?

AuriVerse is not simply a large virtual compound Space. It is a quality-driven, reaction-based discovery platform built to deliver novel, drug-like, synthetically accessible compounds with reduced downstream risk. Aurigene connects virtual screening, medicinal chemistry, and compound realization in one integrated workflow, so teams can identify differentiated starting points faster and move efficiently from computational exploration to testable molecules.

Seamless BioSolveIT integration: Navigate billions of compounds and move directly into synthesis.
Guided prioritization: AI-assisted design focuses effort on high-probability candidates.
Target-focused libraries: Customizable to families such as GPCRs, transcription factors, and ion channels.
Reliable synthesis delivery: Make-on-demand fulfillment in 6 to 8 weeks at an average success rate of approximately 60%.

What's the Chemical Coverage of AuriVerse?

Already in its first release, AuriVerse shows outstanding chemical coverage. It surpasses several enumerated compound catalogs from established vendors and ranks among the top performers among combinatorial Chemical Spaces, including REAL Space and eXplore. The assessment was carried out under the same peer-reviewed conditions, using a benchmark set of approximately 3,000 diverse bioactive molecules. Full details are available in the open-access article.

Chemical coverage of AuriVerse. Coverage categories were assigned based on the number of retrieved results reaching an ECFP4 similarity score of at least 0.45. Excellent coverage means that all 100 out of 100 SpaceLight retrieved results met or exceeded this threshold. Good coverage means that at least 50 out of 100 results met or exceeded this threshold. Remainder refers to all compounds that did not fall into either category, meaning fewer than 50 out of 100 results reached an ECFP4 similarity score of 0.45 or higher.

What's Inside AuriVerse?

Thanks to its broad chemical coverage, AuriVerse provides a wide variety of molecular scaffolds. Alongside many peptidomimetics, it covers a broad range of heterocycle-containing compounds, hinge-binding motifs, covalent warheads, and physicochemical- and ADME-modifying features.

Highly populated scaffolds in AuriVerse. Three examples from 946 scaffold clusters with excellent coverage contained in AuriVerse.

AuriVerse can be searched in many ways, so project-specific compounds of interest can be retrieved. This includes pharmacophore-like scaffold searches, substructure and SMARTS searches, and fingerprint screening. AuriVerse can also be sampled in 3D at the binding site of your target using the exclusive Chemical Space Docking® approach.

SpaceLight (ECFP4) result examples for the three highly populated scaffolds.

Access with infiniSee

AuriVerse can be conveniently explored using BioSolveIT's Chemical Space navigation platform, infiniSee. Over 4 billion entries can be searched for relevant chemistry within seconds to minutes on standard hardware. Various search algorithms are available to identify the best matches for the objectives of a drug discovery project.

Scaffold Hopper (FTrees): Retrieves compounds based on fuzzy pharmacophore similarity.
Analog Hunter (SpaceLight): Screens for close analogs based on Tanimoto fingerprint similarity.
Motif Matcher (SpaceMACS): Mines for molecules containing an exact substructure or those with the highest maximum common substructure to the query.

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

Check out infiniSee

Want to Take It into the 3D World?

Chemical Space Docking® also enables structure-based screening of AuriVerse 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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