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PreprintLicence not statedChemRxiv

Comparative Analysis of Basic Machine Learning and Rigorous Free-Energy Calculation on Benchmarking Datasets of Protein-Ligand Binding Affinity

  • Stefan J. P. Chrin1
  • Gregory A. Landrum1
  • Sereina Riniker1
  1. 1Department of Chemistry and Applied Biosciences, ETH Zürich, Vladimir-Prelog-Weg 2, Zürich, Switzerland, 8093
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Cite

BibTeXRIS
BibTeX
@misc{chrin2026comparative,
  title = {{Comparative Analysis of Basic Machine Learning and Rigorous Free-Energy Calculation on Benchmarking Datasets of Protein-Ligand Binding Affinity}},
  author = {Stefan J. P. Chrin and Gregory A. Landrum and Sereina Riniker},
  howpublished = {ChemRxiv},
  year = {2026},
  month = oct,
  doi = {10.26434/chemrxiv.15011290/v1},
  url = {https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011290/v1},
}
RIS
TY  - UNPB
TI  - Comparative Analysis of Basic Machine Learning and Rigorous Free-Energy Calculation on Benchmarking Datasets of Protein-Ligand Binding Affinity
AU  - Stefan J. P. Chrin
AU  - Gregory A. Landrum
AU  - Sereina Riniker
PY  - 2026
DA  - 2026/10/29
PB  - ChemRxiv
DO  - 10.26434/chemrxiv.15011290/v1
UR  - https://chemrxiv.org/doi/full/10.26434/chemrxiv.15011290/v1
ER  -