Scaffold-based evaluation metrics for fair comparison of molecular generators

Valeriia Fil, Remco L. Van Den Broek, Martin Šícho, Ivan Čmelo, M. Isabel Agea, Willem Jespers, Gerard J. P. Van Westen, Daniel Svozil

Open source

DOI
10.1186/s13321-026-01213-6
Published
2026-05-08
Container
Journal of Cheminformatics
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1186/s13321-026-01213-6,
  title = {Scaffold-based evaluation metrics for fair comparison of molecular generators},
  author = {Valeriia Fil and Remco L. Van Den Broek and Martin Šícho and Ivan Čmelo and M. Isabel Agea and Willem Jespers and Gerard J. P. Van Westen and Daniel Svozil},
  year = {2026},
  journal = {Journal of Cheminformatics},
  doi = {10.1186/s13321-026-01213-6},
  url = {https://doi.org/10.1186/s13321-026-01213-6}
}

RIS

TY  - JOUR
TI  - Scaffold-based evaluation metrics for fair comparison of molecular generators
AU  - Valeriia Fil
AU  - Remco L. Van Den Broek
AU  - Martin Šícho
AU  - Ivan Čmelo
AU  - M. Isabel Agea
AU  - Willem Jespers
AU  - Gerard J. P. Van Westen
AU  - Daniel Svozil
PY  - 2026
JO  - Journal of Cheminformatics
DO  - 10.1186/s13321-026-01213-6
UR  - https://doi.org/10.1186/s13321-026-01213-6
ER  - 

APA

Fil, V., Broek, R. L. V. D., Šícho, M., Čmelo, I., Agea, M. I., Jespers, W., Westen, G. J. P. V., & Svozil, D. (2026). Scaffold-based evaluation metrics for fair comparison of molecular generators. Journal of Cheminformatics. https://doi.org/10.1186/s13321-026-01213-6

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