Articles

Computer-assisted methods for molecular structure elucidation: realizing a spectroscopist's dream

This article coincides with the 40 year anniversary of the first published works devoted to the creation of algorithms for computer-aided structure elucidation (CASE). The general principles on which CASE meth...

Authors: Mikhail Elyashberg, Kirill Blinov, Sergey Molodtsov, Yegor Smurnyy, Antony J Williams and Tatiana Churanova

Chemistry publication – making the revolution

The advent of the Internet has been the impetus for the Open Access movement, a movement focused on expanding access to information principally by reducing the costs of journals. I argue here that the Open Acc...

Authors: Steven M Bachrach

Grand challenges for cheminformatics

Authors: David J Wild