AI for Molecular Design | Machine-learning algorithms are speeding up the search for novel drugs and materials

https://www.scientificamerican.com/article/ai-for-molecular-design/

"In AI, machine-learning algorithms analyze all known past experiments that have attempted to discover and synthesize the substances of interest—those that worked and, importantly, those that failed. Based on the patterns they discern, the algorithms predict the structures of potentially useful new molecules and possible ways of manufacturing them. No single machine-learning tool can do all this at the push of a button, but AI technologies are moving rapidly into the real-world design of drug molecules and materials."

In creating a drug to fight cancer or a compound that stops a virus, there are two challenges: 1st is finding the right chemical structure for the substance and 2nd, determining which chemical reactions will link up the right atoms into the desired molecules or combinations of molecules. Artificial Intelligence is now making things easier for scientists to do this.

Submitted September 15, 2018 at 04:33AM by chainontheblock https://ift.tt/2MxmAMx via TikTokTikk