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Published in 2022 at "Chemical Science"
DOI: 10.1039/d1sc06515g
Abstract: Machine learning (ML) methods have great potential to transform chemical discovery by accelerating the exploration of chemical space and drawing scientific insights from data. However, modern chemical reaction ML models, such as those based on…
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Keywords:
reaction;
unsupervised contrastive;
machine learning;
chemical reaction ... See more keywords
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Published in 2022 at "IEEE/ACM transactions on computational biology and bioinformatics"
DOI: 10.1109/tcbb.2022.3213669
Abstract: With the successful application of deep learning to magnetic resonance (MR) imaging, parallel imaging techniques based on neural networks have attracted wide attention. However, in the absence of high-quality, fully sampled datasets for training, the…
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Keywords:
contrastive representation;
physics;
representation learning;
unsupervised contrastive ... See more keywords