All vs all matrix of tanimoto scores for GNPS AllPositive dataset
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All vs all matrix of tanimoto scores of the "AllPositive" dataset, created from GNPS positive ionmode mass spectra (95320 spectra after filtering). To simplify this matrix, all spectra are grouped by the first 14 characters of their respective inchikeys, which leaves 12,846 inchikeys. In version 2 a lookup table, the metadata file, is provided that records which row/column of the matrix corresponds to which inchikey.
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Zenodo创建时间：
2020-11-23
