Abstract
Using a relatively small training set of ~16 thousand images from macrmolecular crystallisation experiments, we compare classification results obtained with four of the most widely- used convolutional deep-learning network architectures that can be implemented without the need for extensive computational resources. We show that the classifiers have different strengths that can be combined to provide an ensemble classifier achieving a classification accuracy comparable to that obtained by a large consortium initiative. We use eight classes to effectively rank the experimental outcomes, thereby providing detailed information that can be used with routine crystallography experiments to automatically identify crystal forma- tion for drug discovery and pave the way for further exploration of the relationship between crystal formation and crystallisation conditions.
Original language | English |
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Article number | 0282562 |
Number of pages | 16 |
Journal | PLoS ONE |
Volume | 18 |
Issue number | 3 |
DOIs | |
Publication status | Published - 9 Mar 2023 |