分类器(UML)
人工智能
计算机科学
深度学习
训练集
模式识别(心理学)
上下文图像分类
机器学习
卷积神经网络
数据挖掘
统计分类
试验数据
秩(图论)
集成学习
特征提取
Boosting(机器学习)
作者
Milne, Jamie,Wilson, Julie,Qian Chen,Hargreaves David,Wang, Yinhai
出处
期刊:CERN European Organization for Nuclear Research - Zenodo
日期:2023-01-19
标识
DOI:10.5061/dryad.0k6djhb45
摘要
These data were used to classify crystallisation experiments in Milne et al., (https://doi.org/10.1101/2022.09.28.509868). Here, four of the most widely-used convolutional deep-learning network architectures that can be implemented without the need for extensive computational resources were compared. It was shown 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 (Bruno et al. PLOS one, 13(6), 2018). Eight classes were used to rank the experimental outcomes, thereby providing detailed information that can be used with routine crystallography experiments to automatically identify crystal formation for drug discovery and pave the way for further exploration of the relationship between crystal formation and crystallisation conditions.
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