CSB

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CSB - a suite of computer assisted organic synthesis (CAOS) software for computer-assisted organic synthesis.

The package allows you to predict chemical transformation products that can be composed of one, two, three, or four types of molecules. Simulation follows the natural direction of the chemical reaction. The most important features of CSB are multidimensional (four different computer simulations of chemical reactions are implemented: Ugie-Dugundje - using the concept of mathematical model of constitutional chemistry, common sense, similarity and empirical) and learning ability.

Depending on the model chosen, CSB can be used to solve a wide range of chemical problems, such as: teaching chemistry in secondary and tertiary education, supporting research projects related to the development of new chemistry and synthesis, ecology (eg simulation of the distribution and directions of plant protection products change in the soil, simulation of changes in various substances occurring in the atmosphere, water and other specific natural and artificial environments), design of methods of utilization of by-products and waste in the chemical and related industries, Support for drug interactions, support for qualitative analytical assays (eg simulation of association libraries that may be present in samples of known history), prognosis of aging processes of organic materials, and verification of the mechanisms of organic reactions.

In addition, CSB is equipped with a suite of utilities to collect information about chemical reactions (establishment and maintenance of chemical reaction bases).

The package was developed at the Department of Chemical Computer Science (Department of Computer Science and Physical Chemistry) of the Rzeszów University of Technology, by a team composed of Zdzisław S. Hippe, Grzegorz Fic, Grażyna Nowak and Michał Mazur.

This package is derived from previous programs developed at the Rzeszów University of Technology:



wiki

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