To learn about scientific concepts considered during the development of Reactor, check out our publication in Journal of Chemical Information and Modeling, the core journal of the computational chemistry field:
Pirok, G.; Máté, N.; Varga, J.; Szegezdi, J.; Vargyas, M.; Dóránt, Sz.; Csizmadia, F.: Making "Real" molecules in virtual space, J. Chem. Inf. Model, 2006, 46, 563-568.
We have also collected a couple of posters, presentations and other useful material for you to get more familiar with the science behind Reactor.
In this part of the User's Guide we will focus on the smart reactions of Reactor that enable to produce chemically feasible products along with chemists' expectations.