Remark: Please use hydrogen-depleted mol2 format as written by OpenBabel LinkOut! Files generated by other programs may cause problems.

You can translate (nearly) any other format to mol2 format using the OpenBabel web interface at the World Wide Molecular Matrix: OpenBabel Web Interface

A Upload file in hydrogen-depleted mol2 format containing active compound
This compounds will be used to generate a hypothesis for searching the database


B Upload library ro be ranked in hydrogen-depleted mol2 format (may be single structure, 3MB max. [about 1000 structures])
These compounds will be compared to the query compound, using the Tanimoto Coefficient


C - General Settings
How many molecules would you like to retrieve? (default 100)

D - Submit data