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The dataset in this study is a Drug-Drug Interaction Event (DDIE) dataset obtained from DeepDDI 2. It includes detailed information on 2,386 drugs, each represented by a 50-dimensional Principal Components Analysis (PCA) feature vector, and the corresponding SMILES strings. Additionally, drug descriptions from DDInter and DrugBank have been integrated into the dataset.
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The DDIE dataset comprises 222,127 drug pairs, enabling the prediction of 113 different DDIE types.
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Addressing few-shot scenarios is crucial due to the frequent occurrence of rare and poorly documented drug interactions in clinical settings, which present significant challenges.
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## Data Sample Distribution
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The following table shows the distribution of data samples across different interaction frequency categories in the training, validation, and test sets:
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| Freq
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| Common
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| Few
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| Rare
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This categorization into 'common', 'few', and 'rare' is based on the frequency of DDIE occurrences, which helps address the challenges posed by different frequency categories in real-world scenarios. Additionally, categories with fewer than two samples were removed, and the remaining samples were distributed into training, validation, and test sets at ratios of 2:2:6 to enhance the dataset's quality and reliability.
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The dataset in this study is a Drug-Drug Interaction Event (DDIE) dataset obtained from DeepDDI 2. It includes detailed information on 2,386 drugs, each represented by a 50-dimensional Principal Components Analysis (PCA) feature vector, and the corresponding SMILES strings. Additionally, drug descriptions from DDInter and DrugBank have been integrated into the dataset.
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The DDIE dataset comprises 222,127 drug pairs, enabling the prediction of 113 different DDIE types. Addressing few-shot scenarios is crucial due to the frequent occurrence of rare and poorly documented drug interactions in clinical settings, which present significant challenges.
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## Data Sample Distribution
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The following table shows the distribution of data samples across different interaction frequency categories in the training, validation, and test sets:
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| **Freq** | **Train** | **Valid** | **Test** |
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|:---------:|:---------:|:---------:|:---------:|
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| Common | 44,126 | 44,113 | 132,110 |
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| Few | 108 | 128 | 298 |
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| Rare | 43 | 34 | 85 |
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This categorization into 'common', 'few', and 'rare' is based on the frequency of DDIE occurrences, which helps address the challenges posed by different frequency categories in real-world scenarios. Additionally, categories with fewer than two samples were removed, and the remaining samples were distributed into training, validation, and test sets at ratios of 2:2:6 to enhance the dataset's quality and reliability.
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