extract_MolFps_from_SIRIUS.knwf
Dataset description:
Nontarget high-resolution mass spectrometry screening (NTS HRMS/MS) can detect thousands of organic substances in environmental samples. However, new strategies are needed to focus time-...
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Additional Information
| Last updated | June 7, 2023 |
|---|---|
| Created | June 7, 2023 |
| Format | unknown |
| Size | 482.7 MB |
| Resource Type | Workflow |
| Cite as | A KNIME workflow for extraction of molecular fingerprints predicted from HRMS/MS data by SIRIUS and conversion into the tidy format required by MLinvitroTox. |
| Hash | ff0fc31fb8edce7d32d665a2579fc92dc15d50afb056956388932886460b0981 |
| Hashtype | sha256 |