A fast CHEMical COMparator


ChemCom (Chemical Comparator) is a computer application which facilitates searching and comparing chemical libraries. ChemCom aims to expedite the current, time consuming processes of comparing large, chemical databases. As such, this application can be used to speedup many processes including drug research and discovery.

ChemCom is based on Java Web Start (JavaWS) technology and provides a user-friendly graphical interface which aids in providing numerous options and a number of fast algorithms, including a novel algorithm termed UnionBit Tree Algorithm, to perform chemical comparisons.

ChemCom is platform independent; however, a Java 7 or higher is required. OpenBabel, an open source software package, is also needed for calculating chemical fingerprints.

License: GNU GPLv3

Developer team: Sirus Saeedipour, David Tai, Jianwen Fang



ChemCom can be launched via this link; Java Web Start application. Its source code can also be download here

Tutorial and sample sdf files

You can find step-by-step instructions here to execute a sample comparison.

The SDF files used in running the trials are as follows:

  • Query SDF
  • Database SDF