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
Contact: jianwen.fang@nih.gov