IBM Comes Up With AI Program That Predicts Chemical Reactions


As per the latest AI news, scientists and researchers at IBM have developed an artificial intelligence software that can predict outcomes of chemical reactions. This is possible due to the ability of software to decipher atoms of elements analogues to letters and molecules as words. In this way, the software uses computer translation methods to predict how the outcome of chemical reactions would translate. This innovative approach towards using artificial intelligence is touted to speed up the development of new drugs.

AI program developed by IBM that can be used to predict organic chemical reactions.

Teodoro Laino, a co-author from IBM Research in Zurich, said that the researchers applied the AI software to analyse millions of chemical reactions. In this way, the software could learn the basic structure and “language” of organic chemistry. Using this procedure, the outcome of possible chemical reactions could be predicted.

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This innovative AI program can surely decrease the time needed for simulating complex organic reactions, as compared to the time required by using currently utilized techniques. The program is actually an artificial neural network, whose components called neurons, are fed with data. Using this data, they are made to cooperate in order to solve a problem, such as translating a sentence. The network can be adjusted in a repeated manner along all connections present between the neurons. In this way, the program gains knowledge if any new patterns or connections can be used to solve the problems. Over a certain time duration, specific patterns are segregated which are best at computing solutions.

Other study authors say that the program could achieve accuracies of up to 80% or even more. Until now, the AI program has dealt with about 150 atoms. The researchers are planning to make this service available through cloud computing in future. They also plan to achieve an accuracy of at least 90% in the future. The researchers are keen to start using specialized AI program models for analyzing and predicting specific organic chemical reactions.

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