The REACT Program

Rapid Enumeration by Automated Combinatorial Tool

REACT is a tool for in silico combinatorial chemistry.

This program creates library of molecules by combining fragment libraries based on a user-defined chemical reaction. It can also perform an enumeration from generic attachment points on the fragments. The program will automatically identify compatible chemicals within a catalogue database and combine them according to the defined chemistry or transformation.

More details about the REACT program can be found in the references.