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QSAR analysis
Analyze experimental data and build QSAR models to correlate biological activities with molecular descriptors based on advanced 2-D or 3-D QSAR modeling techniques, such as GFA, CoMFA, CoMSIA, HQSAR, Volsurf, Almond, etc.

Similarity Search/Cluster
Ligand-similarity based lead identification is a technique which follows the principle of similarity. It does not require information about 3D structure of the target protein. It is assumed that molecules having similar structure will have similar chemical properties. We provide a set of tools based on molecular properties, structural fingerprints or molecular surface/shape to identify new compounds from the external databases of chemical compounds for a given compound or a set of given compounds.

Scaffold hopping
Design and discover new structurally novel compounds from known active compounds by modifying the central core structure (the scaffold) of the molecule, while preserving the remaining chemical groups by using scaffold hopping techniques.