Prof. Dr. Ivar Ugi, Dipl.-Inform Johannes Bauer, Dr. Josef Brandt, Dipl.-Inform. Josef Friedrich, Dr. Johann Gasteiger, Dr. Clemens Jochum and Dr. Wolfgang Schubert New Applications of Computers in Chemistry Angewandte Chemie International Edition in English 18
The design of entirely new syntheses, and the classification and documentation of structures, substructures, and reactons are examples of new applications of computers to chemistry. The starting point is a mathematical model of constitutional chemistry based on the extension of the concept of isomerism to ensembles of molecules.
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