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SHS investigation development is considered from the geographical and historical viewpoint. 3 stages are described. Within Stage 1 the work was carried out in the Department of the Institute of Chemical Physics in Chernogolovka where the scientific discovery had been made. At Stage 2 the interest to SHS arose in different cities and towns of the former USSR. Within Stage 3 SHS entered the international scene. Now SHS processes and products are being studied in more than 50 countries.
Abstract
MOLGEN 5.x combines the efficiency of the molecular generator MOLGEN 3.5 and the flexibility of MOLGEN 4.x. To achieve this, the software was reimplemented based on a totally new concept. The most visible new features are fuzzy molecular formula input and explicit use of atom state patterns. We describe the version MOLGEN 5.0 of this new series.
Keywords:
MOLGEN, structure generation, fuzzy molecular formula, atom state pattern, molecular graph, goodlist, badlist, backtracking, diophantine equation, orderly generation, molecular libraries, connectivity isomers, constitutions, molecular structure elucidation, substructure restriction, aromaticity detection.
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Authors:Bentham Science Books