Aiding the Drug Discovery Process: Acelot Suite of Tools

• SimFinder - Novel similarity searching technique using a topology-based approach.
• SigFinder - Novel method to discover statistically significant topological fragments in a given collection.
• PharmaMiner - Novel technique that combines the topology of significant fragments with geometric arrangement of atoms to visualize, query and interactively discover scaffolds and new compounds against known targets.

 

Feature	Benefits	Novel technology
Similarity Searching	Improved hit identification at lower cost Better comparison to known drugs	Topology-based searching Scalable graph index structure
Active substructure identification	Identification of active substructures for lead identification and optimization Mining of protein-ligand complexes	Significance model based on graph analysis Statistical comparison
Query and user interface	Development of structure-activity relationship (SAR) Fragment-based drug discovery	Graph-based query language Pharmacophore queries and mining