The DOI matches its Crossref record; 1 of the 1 references it cites were found in a registry or an index.
970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13
Abstract
GDB-13 enumerates small organic molecules containing up to 13 atoms of C, N, O, S, and Cl following simple chemical stability and synthetic feasibility rules. With 977,468,314 structures, GDB-13 is the largest publicly available small organic molecule database to date.
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Citations
Cites
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
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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
Fast and Accurate Modeling of Molecular Atomization Energies with Machine Learning
Rupp, M., Tkatchenko, A., Müller, K.-R., & von Lilienfeld, O. A. (2012) · Physical Review Letters · doi:10.1103/physrevlett.108.058301 · Cited by 2,312
SchNet – A deep learning architecture for molecules and materials
Schütt, K. T., Sauceda, H. E., Kindermans, P.-J., Tkatchenko, A., & Müller, K.-R. (2018) · The Journal of Chemical Physics · doi:10.1063/1.5019779 · Cited by 2,217
Unke, O. T., Chmiela, S., Sauceda, H. E., Gastegger, M., Poltavsky, I., Schütt, K. T., Tkatchenko, A., & Müller, K.-R. (2021) · Chemical Reviews · doi:10.1021/acs.chemrev.0c01111 · Cited by 1,647
Metadata
- Authors
- Blum, L. C., & Reymond, J.-L.
- Venue
- Journal of the American Chemical Society
- Publisher
- American Chemical Society (ACS)
- Published
- 2009-06-08
- Volume
- 131
- Issue
- 25
- Pages
- 8732-8733
- ISSN
- 0002-7863 (ISSN-L)
- 1520-5126
- OpenAlex
- W2153693853
- Cited by
- 860
- References
- 1
- FWCI
- 29.94
- Type
- journal article
- Language
- en
- Open access
- closed
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- CoChat. (2026). Citation check: 970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13. https://app.cochat.ai/papers/10.1021/ja902302h
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- Blum, L. C., & Reymond, J.-L. (2009). 970 Million Druglike Small Molecules for Virtual Screening in the Chemical Universe Database GDB-13. Journal of the American Chemical Society. https://doi.org/10.1021/ja902302h
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Bibliographic data: Semantic Scholar, OpenAlex, Crossref.
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.
