Copyright © 2007-2010  BiochemLabSolutions.com 


Small molecule structural similarity analysis and clustering

The program for analysis of high-throughput screening data and generally for analysis of data sets containing multiple chemical compounds. This software is most suitable for finding related chemical structures and for establishing structure-activity relationships (SAR) within experimentally generated molecule sets or libraries of small molecules.
1. Simple and efficient operation.

2. Fast performance.
    
3. The chemical similarity searches go beyond detection of just a common scaffold. The program can find
     non-obviously related compounds. To learn more, read about Tanimoto scoring and Open Babel.

4. Easy DragDrop-based SDF clustering with minimum tuning or setup steps.
Free chemoinformatics software, free small molecule similarity analysis software
Program highlights
MassiveSAR Structure-Activity analysis software (freeware) graphical user interface (GUI)
Screen shot
The input: a SMILES string and an SDF database containing many small molecules.
The output: a list of similarity indexes between the SMILES query and each molecule in the SDF file.
SDF tag extraction utility
SDF tag extraction utility
SDF split, merge & repair utility
Similarity analysis and clustering utility for small molecule SDF datasets