Chemical structure matching using correlation matrix memories

This paper describes the application of the relaxation by elimination (RBE) method to matching the 3D structure of molecules in chemical databases within the frame work of binary correlation matrix memories. The paper illustrates that, when combined with distributed representations, the method maps well onto these networks, allowing high performance implementation in parallel systems. It outlines the motivation, neural architecture and RBE method, and presents some results of matching small molecules against a database of 100,000 models.