With the support of The Cheminformatics and QSAR Society, a dedicated team of editors publishes the journal QSAR & Combinatorial Science. In 2008, QSAR & Combinatorial Science received its highest Impact Factor ever: 2.594

QSAR & Combinatorial Science is the international forum for high-quality results on all aspects of computer-assisted methods and combinatorial techniques including cheminformatics, bioinformatics, chemometrics, virtual screening, and molecular modeling. One of the most important and popular features continues to be the QSAR Abstracting Service, a service exclusive to this journal.

As of 2010, Molecular Informatics succeeds QSAR & Combinatorial Science.