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Classification of crystallization outcomes using deep convolutional neural networks

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JournalPLOS one
DateAccepted/In press - 29 May 2018
DatePublished (current) - 20 Jun 2018
Number of pages15
Original languageEnglish

Abstract

The Machine Recognition of Crystallization Outcomes (MARCO) initiative has assembled roughly half a million annotated images of macromolecular crystallization experiments from various sources and setups. Here, state-of-the-art machine learning algorithms are trained and tested on different parts of this data set. We find that more than 94% of the test images can be correctly labeled, irrespective of their experimental origin. Because crystal recognition is key to high-density screening and the systematic analysis of crystallization experiments, this approach opens the door to both industrial and fundamental research applications.

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