* LIT-PCBA virtual screening benchmark
** NEF@1% - Normalized Enrichment Factor at 1%
*** Virtual Screening with Gnina 1.0 ↗
Focus on predicted molecular activities to identify potential hits with higher precision.
Seamlessly search through databases of any size without compromising on speed or accuracy.
Retrieve a diverse set of molecules for hit identification and drug novelty.
- Molecule to Protein Mapping: Innovative tool to find molecules linked or interacting with a chosen protein.
- Protein to Molecule Mapping: Identify proteins that potentially interact with a given molecule, enhancing the understanding of drug-target relationships.
- Automated Filtering: Assess the safety profile using predicted activities to our carefully curated list of proteins causing the majority of adverse effects.
- Custom Molecule Analysis: Opportunity to upload and analyze your molecule for a detailed safety assessment against our protein database.
- Simultaneous Comparison: Unique capability to concurrently compare two molecules, offering insights into their collective interactions and synergies.
- Personalized Analysis: Flexibility to create safety profiles using a specific list of proteins, tailored for unique biomarkers or therapeutic targets.
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