ARChem founder, Dr. Lionel A. Carreira, is Professor Emeritus of Chemistry at the University of Georgia. He received his B.S. in Chemistry at Worcester Polytechnic Institute in 1966 and his PhD in Chemistry from MIT in 1969. Dr. Carreira’s main area of interest involves developing novel methods for the computer estimation of fundamental reactivity parameters strictly from molecular structure. The new computer technology of expert systems provides for imbedding theoretical knowledge as well as calculation algorithms into computer programs which can, in principle, shorten the distance between scientific theory and computer implementation. Over the past fifteen years he developed SPARC an expert system that captures the reasoning process that a chemist might undertake in reactivity analysis. The approach primarily involves deductive reasoning and is theory/mechanism oriented. The computational procedures are based on mathematical models of chemistry.
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