HIPS, a hybrid self-adapting expert system for nuclear magnetic resonance spectrum interpretation using genetic algorithms

An automatic system for the interpretation of two-dimensional NMR spectra of proteins, HIPS, is presented. Several artificial intelligence techniques are combined to form a flexible, hybrid system that has (limited) learning capabilities. Following the structure of the problem, the system is divided in modules with distinct functionalities. The first two modules are rule-based, and can be validated and refined semi-automatically using a set of already interpreted spectra. In this way, an optimized ruleset can be obtained to interpret unknown spectra. Results indicate a significant effect of training on performance. In the third module, a genetic algorithm is used to tackle a search problem of huge dimensions in which patterns found in the NMR spectra should be mapped to amino acids in the sequence.