If you’re going to publish in the Journal of Computational Chemistry, it probably makes sense to have one’s computer tuned up for the task.
Or else you might wind up like a group of researchers in China who had to endure this misfortune:
The following article from the Journal of Computational Chemistry, “Prediction of Posttranslational Modification Sites from Sequences with Kernel Methods,” by Xiaobo Wang, Yongcui Wang, Yingjie Tian, Xiaojian Shao, Ling-Yun Wu, and Naiyang Deng, published online on 21 April 2010 in Wiley Online Library (wileyonlinelibrary.com), DOI: 10.1002.jcc.21526, has been retracted by agreement between the authors, the journal’s editors, and Wiley Periodicals, Inc. The retraction has been agreed because a computational error produced results that led the authors to overstate the level of performance of their computing model.
We’ve contacted the corresponding authors of the paper to find out more about the “computational error,” and will update with anything we find out.