Supporting data for: "Data-driven discovery of cardiolipin-selective small molecules by computational active learning"

Contributors
Publication date 2021
Description This repository contains supporting data and code for the paper titled "Data-driven discovery of cardiolipin-selective small molecules by computational active learning" by Bernadette Mohr, Kirill Shmilovich, Isabel Kleinwächter, Dirk Schneider, Andrew L.Ferguson, and Tristan Bereau.
Publisher Zenodo
Organisations
  • Faculty of Science (FNWI) - Van 't Hoff Institute for Molecular Sciences (HIMS)
  • Faculty of Science (FNWI) - Informatics Institute (IVI)
Document type Dataset
Related publication Data-driven discovery of cardiolipin-selective small molecules by computational active learning
DOI https://doi.org/10.5281/zenodo.5507578
Other links https://zenodo.org/record/5507578
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