Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search.

Wills S, Sanchez-Garcia R, Dudgeon T, Roughley SD, Merritt A, Hubbard RE, Davidson J, von Delft F, Deane CM

Open source

DOI
10.1021/acs.jcim.3c00276
Published
2023 Jun 12
Container
Journal of chemical information and modeling
Publisher
Not recorded
Open access
yes

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BibTeX

@article{allodium:10.1021/acs.jcim.3c00276,
  title = {Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search.},
  author = {Wills S and Sanchez-Garcia R and Dudgeon T and Roughley SD and Merritt A and Hubbard RE and Davidson J and von Delft F and Deane CM},
  year = {2023},
  journal = {Journal of chemical information and modeling},
  doi = {10.1021/acs.jcim.3c00276},
  url = {https://doi.org/10.1021/acs.jcim.3c00276}
}

RIS

TY  - JOUR
TI  - Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search.
AU  - Wills S
AU  - Sanchez-Garcia R
AU  - Dudgeon T
AU  - Roughley SD
AU  - Merritt A
AU  - Hubbard RE
AU  - Davidson J
AU  - von Delft F
AU  - Deane CM
PY  - 2023
JO  - Journal of chemical information and modeling
DO  - 10.1021/acs.jcim.3c00276
UR  - https://doi.org/10.1021/acs.jcim.3c00276
ER  - 

APA

S, W., R, S., T, D., SD, R., A, M., RE, H., J, D., F, V. D., & CM, D. (2023). Fragment Merging Using a Graph Database Samples Different Catalogue Space than Similarity Search.. Journal of chemical information and modeling. https://doi.org/10.1021/acs.jcim.3c00276

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