LCSB Environmental Cheminformatics Group
Published August 3, 2022 | Version 2
Other Open

Supplementary Information for 'An Algorithm to Classify Homologous Series Within Compound Datasets' (OngLai)

Authors/Creators

  • 1. Jonas
  • 2. Christoph
  • 3. Emma L.

Contributors

Project member:

  • 1. Friedrich-Schiller-University
  • 2. Luxembourg Centre for Systems Biomedicine

Description

Supplementary Information to the Manuscript

Lai, A., Schaub, J., Steinbeck, C., & Schymanski, E. L. (2022). An algorithm to classify homologous series within compound datasets. Journal of Cheminformatics, 14(1), 1-25. DOI: 10.1186/s13321-022-00663-y

 

Notes

AL and ELS are funded by Luxembourg National Research Fund (FNR) A18/BM/12341006. JS and CS acknowledge funding from the Carl-Zeiss-Foundation.

Files

supplementary-information-onglai.zip

Files (442.1 MB)

Name Size Download all
md5:30ac0deec8d6c287bc400203dce1f373
442.1 MB Preview Download

Additional details

Related works

Has part
Software: https://zenodo.org/record/7035149 (URL)
Is supplemented by
Poster: https://zenodo.org/record/6491204 (URL)