Neural network predicts bond energies like a pro


From Chemistry World:

Parkhill and his team created a piece of software that breaks down molecules, then analyses and classifies single bonds according to their different electronic properties. Next, chemists taught the neural network using an existing database of over 130,000 molecules.2 With this information, and combining it with a series of different algorithms, the programme is able to predict bond energies, often beating the intuition of trained synthetic chemists.

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