Computers in Chemistry ‘94
June 23-26, 1994 - Wroc³aw, Poland
A Computer Program “Cluster” for Cluster Analysis
P. Kêdzierskiª , K. Kowalª , P. Wojciechowskiª , R. Gancarz§
§Institute of Organic Chemistry, Biochemistry and Biotechnology, Wroc³aw University of Technology
Cluster analysis is a technique used for comparisons of a large data set and is used for example in computer recognition of images or patterns or in the analysis of compounds of biological activity. There are lots of techniques used in order to find a compound of desired activity, and the statistical methods are very popular because of great numbers of data. In fact, the most reliable method is to synthesise a couple of thousands of compounds similar to the chosen leader substance and then to investigate their properties. But it is very costly and time demanding technique. Thus any method which helps in minimising the number of synthesised compounds is of great value. Using the computer program like this one can get an idea which are the most important factors for expressing the biological activity and one can find what the next synthesed substances should be like. Our program is designed to help solve these problems.
Functions of the program:
Click here for short instruction in Polish language.
If you want test our program, please contact with Pawe³ Kêdzierski.