What is PLATE-VS?

PLATE-VS is a molecular similarity search platform using deep learning for protein-based similarity.

Similarity Search

Navigate to the Similarity Search page to search for molecules similar to your query SMILES string. You can adjust the similarity threshold to find more or fewer matches.

Network View

The Network View page visualizes molecular similarity as an interactive network graph. It shows:

• The top 5 most similar molecules to your query (first level)
• The top 5 neighbors for each of those molecules (second level)
• Edge thickness represents similarity strength
• Click on any node to visualize the molecule structure

VLS Database

Browse the binding affinity data in the VLS Database page. The database contains molecular information including protein IDs, molecule IDs, SMILES strings, and binding affinity measurements.

SMILES Format

SMILES (Simplified Molecular Input Line Entry System) is a notation for describing molecular structures. Examples:

• c1ccccc1 - Benzene
• CC(=O)Oc1ccccc1C(=O)O - Aspirin
• Cn1cc(S(=O)(=O)Nc2ccc(-c3ccc4c(N)n[nH]c4c3)cc2)c(C(F)(F)F)n1 - Complex drug-like molecule

Need More Help?

Contact the development team for additional support and documentation.