Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization
- DOI
- 10.1186/s13321-021-00554-8
- Published
- 2021-10-02
- Container
- Journal of Cheminformatics
- Publisher
- Springer Science and Business Media LLC
- Open access
- unknown
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Cite this work
BibTeX
@article{allodium:10.1186/s13321-021-00554-8,
title = {Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization},
author = {Jules Leguy and Marta Glavatskikh and Thomas Cauchy and Benoit Da Mota},
year = {2021},
journal = {Journal of Cheminformatics},
doi = {10.1186/s13321-021-00554-8},
url = {https://doi.org/10.1186/s13321-021-00554-8}
}RIS
TY - JOUR TI - Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization AU - Jules Leguy AU - Marta Glavatskikh AU - Thomas Cauchy AU - Benoit Da Mota PY - 2021 JO - Journal of Cheminformatics DO - 10.1186/s13321-021-00554-8 UR - https://doi.org/10.1186/s13321-021-00554-8 ER -
APA
Leguy, J., Glavatskikh, M., Cauchy, T., & Mota, B. D. (2021). Scalable estimator of the diversity for de novo molecular generation resulting in a more robust QM dataset (OD9) and a more efficient molecular optimization. Journal of Cheminformatics. https://doi.org/10.1186/s13321-021-00554-8
Source records
- crossref · retrieved 2026-11-10T13:32:32.588Z