Expanding accessible chemical space for fragment-based enumeration by orders of magnitude through optimization of the Chemically Reasonable Mutations (CReM) framework

Shaojin Hu, Qinyu Chen, Yinhui Yi, Paul Pillot, James Xu, Evgeny Gutkin, Abir Ganguly, Albert C. Pan

Open source

DOI
10.1186/s13321-026-01265-8
Published
2026-08-01
Container
Journal of Cheminformatics
Publisher
Springer Science and Business Media LLC
Open access
unknown

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BibTeX

@article{allodium:10.1186/s13321-026-01265-8,
  title = {Expanding accessible chemical space for fragment-based enumeration by orders of magnitude through optimization of the Chemically Reasonable Mutations (CReM) framework},
  author = {Shaojin Hu and Qinyu Chen and Yinhui Yi and Paul Pillot and James Xu and Evgeny Gutkin and Abir Ganguly and Albert C. Pan},
  year = {2026},
  journal = {Journal of Cheminformatics},
  doi = {10.1186/s13321-026-01265-8},
  url = {https://doi.org/10.1186/s13321-026-01265-8}
}

RIS

TY  - JOUR
TI  - Expanding accessible chemical space for fragment-based enumeration by orders of magnitude through optimization of the Chemically Reasonable Mutations (CReM) framework
AU  - Shaojin Hu
AU  - Qinyu Chen
AU  - Yinhui Yi
AU  - Paul Pillot
AU  - James Xu
AU  - Evgeny Gutkin
AU  - Abir Ganguly
AU  - Albert C. Pan
PY  - 2026
JO  - Journal of Cheminformatics
DO  - 10.1186/s13321-026-01265-8
UR  - https://doi.org/10.1186/s13321-026-01265-8
ER  - 

APA

Hu, S., Chen, Q., Yi, Y., Pillot, P., Xu, J., Gutkin, E., Ganguly, A., & Pan, A. C. (2026). Expanding accessible chemical space for fragment-based enumeration by orders of magnitude through optimization of the Chemically Reasonable Mutations (CReM) framework. Journal of Cheminformatics. https://doi.org/10.1186/s13321-026-01265-8

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