Dataset for: RPLC chemical space prediction

Creators
Publication date 2023
Description Datasets used for development of the retention index random forest regression models and RPLC chemical space classification model. The files contain atom pair count and PubChem fingerprints for the chemicals.
Publisher Figshare
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
Document type Dataset
DOI https://doi.org/10.6084/m9.figshare.22587262
Other links https://figshare.com/articles/dataset/Dataset_for_RPLC_chemical_space_prediction/22587262
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