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Chemical syntheses as networks

Computer-aided retrosynthesis has become a revolutionary tool that reduces the number of steps needed to produce bioactive compounds. This groundbreaking research, conducted by the team of Prof. Bartosz Grzybowski from the PAS Institute of Organic Chemistry, has been recently featured in Chemistry World.


In 2005, Prof. Grzybowski and his research team began to describe chemical syntheses as networks. Around 2010, he and his colleagues manually coded the rules describing the reactions, and in 2012, optimized the tool’s performance by entering data on chemical components. This is how Chematica – a software using algorithms to search for possible retrosynthetic pathways came about. In 2016, the Prof. Grzybowski’s team published the first pathways obtained by Chematica, and only a year later commercialized the software, which is now available under the name Synthia.

Read the article „Computer-guided retrosynthesis” in Chemistry World

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