The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.
ZINCPharmer: pharmacophore search of the ZINC database
Open accessAbstract
ZINCPharmer (http://zincpharmer.csb.pitt.edu) is an online interface for searching the purchasable compounds of the ZINC database using the Pharmer pharmacophore search technology. A pharmacophore describes the spatial arrangement of the essential features of an interaction. Compounds that match a well-defined pharmacophore serve as potential lead compounds for drug discovery. ZINCPharmer provides tools for constructing and refining pharmacophore hypotheses directly from molecular structure. A search of 176 million conformers of 18.3 million compounds typically takes less than a minute. The results can be immediately viewed, or the aligned structures may be downloaded for off-line analysis. ZINCPharmer enables the rapid and interactive search of purchasable chemical space.
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Citations
Cites
Molecular properties that influence the oral bioavailability of drug candidates
Veber, D. F., Johnson, S. R., Cheng, H.-Y., Smith, B. R., Ward, K. W., & Kopple, K. D. (2002) · Journal of Medicinal Chemistry · doi:10.1021/jm020017n · Cited by 8,420
ZINC − A Free Database of Commercially Available Compounds for Virtual Screening
Irwin, J. J., & Shoichet, B. K. (2005) · Journal of Chemical Information and Modeling · doi:10.1021/ci049714+ · Cited by 4,058
Why do we need so many chemical similarity search methods?
Sheridan, R. (2002) · Drug Discovery Today · doi:10.1016/s1359-6446(02)02411-x · Cited by 412
Cited by
ZINC 15 – Ligand Discovery for Everyone
Sterling, T., & Irwin, J. J. (2015) · Journal of Chemical Information and Modeling · doi:10.1021/acs.jcim.5b00559 · Cited by 3,224
Chen, Y.-C. (2015) · Trends in Pharmacological Sciences · doi:10.1016/j.tips.2014.12.001 · Cited by 611
Pharmit: interactive exploration of chemical space
Sunseri, J., & Koes, D. R. (2016) · Nucleic Acids Research · doi:10.1093/nar/gkw287 · Cited by 420
Self-citationNext generation 3D pharmacophore modeling
Schaller, D., Šribar, D., Noonan, T., Deng, L., Nguyen, T. N., Pach, S., Machalz, D., Bermudez, M., & Wolber, G. (2020) · WIREs Computational Molecular Science · doi:10.1002/wcms.1468 · Cited by 269
Issahaku, A. R., Mukelabai, N., Agoni, C., Rudrapal, M., Aldosari, S. M., Almalki, S. G., & Khan, J. (2022) · Scientific Reports · doi:10.1038/s41598-022-22668-1 · Cited by 93
Metadata
- Authors
- Koes, D. R., & Camacho, C. J.
- Venue
- Nucleic Acids Research
- Publisher
- Oxford University Press (OUP)
- Published
- 2012-05-02
- Volume
- 40
- Issue
- W1
- Pages
- W409-W414
- ISSN
- 0305-1048 (ISSN-L)
- 1362-4962
- OpenAlex
- W2099001405
- Cited by
- 436
- References
- 3
- FWCI
- 15.27
- Type
- journal article
- Language
- en
- Open access
- gold
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- Koes, D. R., & Camacho, C. J. (2012). ZINCPharmer: pharmacophore search of the ZINC database. Nucleic Acids Research. https://doi.org/10.1093/nar/gks378
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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).
Semantic Scholar’s data is described in: Kinney, R., et al. (2023). The Semantic Scholar Open Data Platform. arXiv:2301.10140.
