Welcome to the EI site!
This site provides an ultra-fast similarity search service and pre-calculated clustering results for over 19 million compounds from the PubChem Compound Database. The EI-Search and EI-Clustering methods used by this site are described in the following paper:
Y. Cao, T. Jiang, and T. Girke. Accelerated Similarity Searching and Clustering of Large Compound Sets by Geometric Embedding and Locality Sensitive Hashing. Submitted.
Start an example similarity search View a sample compound cluster
