Algorithms for Chemists
Dennis A. Wolf, Jure Zupan · Technometrics · 1991
Part 1 Data: data representation files - algorithm for the generation of inverted files elementary algorithms - Hash algorithms. Part 2 Preprocessing of data: preprocessing of instrumental data transformations - autocorrelation, Fourier transformation, Hadamard transformation optimization - the SIMPLEX method. Part 3 Data handling: clustering of data - clustering of small sets, Lance-Williams equation pattern recognition computer handling of chemical structures - Morgan's algorithm fractal forms and processes - algorithm A27 for generating Von Koch islands, the cellular automat algorithm, algorithm A29 for calculation of the Mandelbrot set expert systems.