PreprocessingΒΆ
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Performs PCA on the centered data matrix and stores the results in |
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Projects the query data to the principal components of the reference data. |
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Performs PCA on the data matrix and projects the data to the principal components. |
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Annotates compounds in |
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Encodes covariates |
Computes Morgan fingerprints for compounds in |
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Compute the weighted k-nearest neighbors graph between the reference and query datasets |
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Transfer labels from the reference to the query dataset. |