Using Grey System GM(1,1) Model to Predict the Drug-GPCRs Couples
Xuan Xiao, Jianliang Min, Pu Wang · Applied Mechanics and Materials · 2012
It is an important topic to find and identify molecular drug targets for modern drug research. Naturally, to find new or potential drug-GPCRs couples is very useful for determining the new effective medicine target, because GPCRs are among the most frequent targets of therapeutic drugs and proven evolutionary pharmacology value. To realize this, this paper incorporates chemical functional groups of drugs and grey model GM(1,1) based on digital coding of amino acids to formulate the drug-GPCRs couples for statistical prediction. The overall success rate using the fuzzy K-Nearest Neighbor algorithm by the jackknife test is about 81%. This novel approach will further stimulate the development of scanning target via a computational approach.