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Software library to serve for faster chemical reaction processing

May 13, 2019 / KAZAN FEDERAL

Big Data has become ubiquitous in recent years, and especially so in disciplines with heterogeneous and complex data patterns. This is particularly true for chemistry. In some ways, chemical compounds may be compared with synonyms in linguistics because one particular compound can be represented in various ways. To further complicate things, some of them don't even have a specific structure and only exist as an amalgamation of forms turning into each other. That's why it's important to know whether we are dealing with different compounds or with different representations of the same one.Sometimes, databases also have errors arising from general unawareness of software features or just general inattentiveness. Special software is needed to detect and correct such errors.