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Home Small Molecules Discovery (CRO) Integrated Drug Discovery Computational and Data Science Aragen’s in-house Knowledge base

Aragen’s in-house Knowledge base

Leverage the extensive experience in the field of informatics driven drug discovery solutions. Aragen has developed internally curated fingerprint-based datasets and computational workflows to support selected discovery projects.

Small Molecule Drug Discovery
CNS penetration with exp. Log BB values >290k & MPO score >690K fragment

Experimental values for tumor to plasma ratio >2500 fragments

Commercial vendor unique data base for scaffold hopping ~ 3mn fragments

PROTACS & Molecular Glues
E3 Ligase +Linker with Phys chem properties ~350 fragments

Inhouse enable 270 linkers (linear, semi-rigid and rigid)

Proprietary fragment fingerprints knowledge base (utility: lead generation/optimization)

These knowledgebases support intellectual property generation through the use of internal fingerprints and platform technologies.

IDD’s proprietary platform technology

  • Scalable
  • Customizable
  • Comprehensive

Data and fingerprints

  • Inhouse accessibility & engineering of data.
  • Development of predictive AI/ML models

Value towards creation of IP

  • Faster
  • Accurate
  • Minimizing error