Some insights into protein structural class prediction

It has been quite clear that the success rate for predicting protein struct ural class can be improved significantly by using the algorithms that incor porate the coupling effect among different amino acid components of a prote in. However, there is still a lot of confusion in understanding the relatio nship of these advanced algorithms, such as the least Mahalanobis distance algorithm, the component-coupled algorithm, and the Bayes decision rule. In this communication, a simple, rigorous derivation is provided to prove tha t the Bayes decision rule introduced recently for protein structural class prediction is completely the same as the earlier component-coupled algorith m. Meanwhile, it is also very clear from the derivative equations that the least Mahalanobis distance algorithm is an approximation of the component-c oupled algorithm, also named as the covariant-discriminant algorithm introd uced by Chou and Elrod in protein subcellular location prediction (Protein Engineering, 1999; 12:107-118), Clarification of the confusion will help us e these powerful algorithms effectively and correctly interpret the results obtained by them, so as to conduce to the further development not only in the structural prediction area, but in some other relevant areas in protein science as well. Proteins 2001;44:57-59, (C) 2001 Wiley-Liss,Inc.