Chemists have created a program for the safe storage and disposal of chemicals

American scientists have created a computer program to search for safe and effective ways to store and dispose of chemicals. According to the analysis of the constructed graph, whose nodes are substances and edges the interactions between them, the program sorts the chemicals in the containers with a given volume. The article, which describes openly available program ChemStor, published in the journal Journal of Chemical Information and Modeling.

Due to the improper storage or disposal of chemical substances may cause explosions or fires, resulting in destruction and injuries. Ways to improve chemical safety, which exist at the moment, I can only give General advice about the best options for storage and disposal of chemical substances, but can not in real time tell how to store or dispose of existing and changing set of different reagents.

Jason Ott (Jason Ott) with colleagues from University of California-riverside has created a computer program to calculate ChemStor secure storage and disposal of chemical substances. If multiple chemicals when stored in one Cabinet does not form potentially hazardous mixtures, the program specifies what the neighborhood is safe. Similarly, if the chemicals that a researcher intends to discharge into an existing receptacle with a drain, do not interact with other substances in it and with each other, the program gives green light to destruction of substances in the vessel.

In the first stage, the program builds a graph of interactions between the target substances on the basis of data of the Agency for environmental protection United States about their group of chemical activity. ChemStor then computes the chromatic number of a graph is the minimum number of colors that can color its vertices (of a substance) so that the ends of any edge (interaction) had different colors. That is, pairs of substances that can interact with each other, are always painted in different colors. The program then combines all of the chemicals that are marked with one color, in one container, making sure there is enough space. The result is a clear instruction where to store or how to dispose of each of the reagents or the warning that the safest ways of combining substances no.

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