HOUDINI:  A New Approach to Computer-Based Structure Generation

Abstract

A new method of structure generation called convergent structure generation has been developed to address limitations of earlier methods. The features of the program (HOUDINI) based on this method include the following: a single integrated representation of the collective substructural information; the use of parallel atom groups for efficient processing of families of alternative substructural inferences; and a managed structure generation procedure designed to build required structural features early in the process.