Scientists Develop Machine-Learning Method to Predict the Behavior of Molecules (IMAGE)
Caption
A new learning algorithm is illustrated on a molecule known as malonaldehyde that undergoes an internal chemical reaction. The distribution of red points corresponds molecular configurations used to train the algorithm. The blue points represent configurations generated independently by the learning algorithm. The turquoise points confirm the predictions in an independent numerical experiment.
Credit
Image courtesy of Leslie Vogt.
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