The literature search may be incomplete Antony Williams, Royal Society of Chemistry 19 September 2012 For a publication regarding CASE and molecular generation I would suggest that the literature search may have been incomplete. The software known as Structure Elucidator, while being a commercial product, is likely the most reported and actively developed CASE software in the past decade and has been reported many times. I have produced a list of our publications here: http://www.chemconnector.com/2012/09/18/our-contributions-to-the-literature-regarding-computer-assisted-structure-elucidation/ . I believe it is close to complete but I might have missed a couple also as my CV is out of date. I think the book and Progress in NMR review may be of interest. Also, you may wish to review the publications of Sergey Molodtsov. Competing interests I was involved with the development of ACD/Structure Elucidator during my 10 years working at ACD/Labs. I still collaborate with them on publishing but am not involved with the development of the software any longer.