Virtual screening

Streamlined virtual screening

We offer access to extensive compound libraries, including our in-house collection of approximately 3 million proprietary compounds and external on-demand chemical spaces. Our virtual screening services include:

• Ligand-based screening: utilising 2D/3D features like shape and pharmacophores from single compounds or seed molecules
• Structure-based screening: employing molecular docking to identify potential binders using 3D structural data of targets
• Data mining: Leveraging our life science database (LSDB) to identify hits based on target class, off-target activity and other parameters
• Hybrid approaches: combining methods to rapidly screen large collections and identify promising hits.

Why choose virtual screening?

• Fast, cost-effective access to vast chemical libraries
• Efficient identification of active compounds and scaffold hops
• Ideal for protein targets or assay platforms unsuitable for large-scale experimental screening.

The Nuvisan advantage

Partnering with us gives you access to experienced consultants, proprietary ML models, virtual screening at scale and seamless follow-up testing. We deliver tailored, cost-effective solutions that help accelerate your drug discovery journey.