AuriVerse by Aurigene – Access now with our tools

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AuriVerse by Aurigene – Access now with our tools

June 15, 2026 11:00 CEST

We are happy to integrate AuriVerse to our portfolio of Chemical Spaces, created in collaboration between Aurigene Pharmaceutical Services and BioSolveIT. AuriVerse marks our first Chemical Space partnership with a company based in India, extending the portfolio into a new region of expert make-on-demand chemistry.

AuriVerse brings a precision-engineered universe of 4.86 billion accessible, drug-like products directly into your workflow. Built from 18 validated reaction protocols and 151,038 in-stock building blocks, it pairs proprietary reaction-driven design with quality-first filtering for a reliable and novel collection.

Aurigene applies proprietary reaction data alongside AI-assisted feasibility models to refine compound selection. Molecules are pre-filtered for drug-likeness and synthetic tractability, with liabilities such as PAINS removed. This translates to an expected synthesis success rate of approximately 60%, with compounds delivered in 6 to 8 weeks.

Key Traits

  • Quality-first design, pre-filtered for drug-likeness with PAINS structural alerts removed
  • Reaction-driven novelty for differentiated scaffolds and strong IP potential
  • AI-assisted design with guided prioritization of high-probability candidates
  • Customizable libraries aligned to target families such as GPCRs, transcription factors, and ion channels

What’s the Chemical Coverage of AuriVerse?

Already in its first version, comprising 4.8 billion compounds, AuriVerse impresses with outstanding chemical coverage. It not only surpasses various enumerated compound catalogs from renowned vendors, but also immediately ranks among the top performers within combinatorial Chemical Spaces, such as REAL Space and eXplore. The assessment of AuriVerse was carried out under the same peer-reviewed conditions using a benchmark set of approximately 3,000 diverse bioactive molecules. More information about the chemical coverage assessment can be found in the open-source 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 the excellent or good coverage categories, 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 outstanding chemical coverage, AuriVerse provides a wide variety of molecular scaffolds. In addition to many peptidomimetics, it also 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 (see above, ‘excellent coverage’) contained in AuriVerse.

Thanks to the many ways in which AuriVerse can be searched, project-specific compounds of interest can be retrieved. This includes pharmacophore-like scaffolds, substructure searches, SMARTS searches, and common fingerprint screenings (see below). Furthermore, AuriVerse can also be sampled in 3D at the binding site of the target of interest using the exclusive Chemical Space Docking approach.

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

What Sets Aurigene Apart

Aurigene sets itself apart by turning vast chemical possibility into practical, high-confidence discovery outcomes. AuriVerse is not simply a large virtual compound space; it is a quality-driven, reaction-based discovery platform designed to deliver novel, drug-like, synthetically accessible compounds with reduced downstream risk. Through seamless BioSolveIT integration, guided prioritization, customized target-focused libraries, and reliable synthesis delivery, Aurigene connects virtual screening, medicinal chemistry, and compound realization in one integrated workflow. This enables teams to identify differentiated starting points faster, prioritize the most promising candidates, and move efficiently from computational exploration to experimentally testable molecules.

How Can I Access AuriVerse?

The AuriVerse dataset is available to download and can be screened with BioSolveIT applications:

All results found using infiniSee are ready to be synthesized on demand and ordered directly via Aurigene, ensuring a streamlined path from virtual screening to your laboratory.