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Cited by 1,993

The DOI matches its Crossref record; 3 of the 3 references it cites were found in a registry or an index.

DrugBank 4.0: shedding new light on drug metabolism

Open access
Law, Vivian, Knox, Craig, Djoumbou, Yannick, Jewison, Tim, Guo, An Chi, Liu, Yifeng, Maciejewski, Adam, Arndt, David, Wilson, Michael, Neveu, Vanessa, Tang, Alexandra, Gabriel, Geraldine, Ly, Carol, Adamjee, Sakina, Dame, Zerihun T., Han, Beomsoo, Zhou, You, Wishart, David S.·2014·Nucleic Acids Research

Abstract

DrugBank (http://www.drugbank.ca) is a comprehensive online database containing extensive biochemical and pharmacological information about drugs, their mechanisms and their targets. Since it was first described in 2006, DrugBank has rapidly evolved, both in response to user requests and in response to changing trends in drug research and development. Previous versions of DrugBank have been widely used to facilitate drug and in silico drug target discovery. The latest update, DrugBank 4.0, has been further expanded to contain data on drug metabolism, absorption, distribution, metabolism, excretion and toxicity (ADMET) and other kinds of quantitative structure activity relationships (QSAR) information. These enhancements are intended to facilitate research in xenobiotic metabolism (both prediction and characterization), pharmacokinetics, pharmacodynamics and drug design/discovery. For this release, >1200 drug metabolites (including their structures, names, activity, abundance and other detailed data) have been added along with >1300 drug metabolism reactions (including metabolizing enzymes and reaction types) and dozens of drug metabolism pathways. Another 30 predicted or measured ADMET parameters have been added to each DrugCard, bringing the average number of quantitative ADMET values for Food and Drug Administration-approved drugs close to 40. Referential nuclear magnetic resonance and MS spectra have been added for almost 400 drugs as well as spectral and mass matching tools to facilitate compound identification. This expanded collection of drug information is complemented by a number of new or improved search tools, including one that provides a simple analyses of drug-target, -enzyme and -transporter associations to provide insight on drug-drug interactions.

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Metadata

Authors
Law, V., Knox, C., Djoumbou, Y., Jewison, T., Guo, A. C., Liu, Y., Maciejewski, A., Arndt, D., Wilson, M., Neveu, V., Tang, A., Gabriel, G., Ly, C., Adamjee, S., Dame, Z. T., Han, B., Zhou, Y., & Wishart, D. S.
Venue
Nucleic Acids Research
Published
2013-11-06
Volume
42
Issue
D1
Pages
D1091-D1097
ISSN
  • 0305-1048 (ISSN-L)
  • 1362-4962
OpenAlex
W2018518196
Cited by
1,993
References
3
FWCI
186.94
Type
journal article
Language
en
Open access
gold

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CoChat. (2026). Citation check: DrugBank 4.0: shedding new light on drug metabolism. https://app.cochat.ai/papers/10.1093/nar/gkt1068
The paper
Law, V., Knox, C., Djoumbou, Y., Jewison, T., Guo, A. C., Liu, Y., Maciejewski, A., Arndt, D., Wilson, M., Neveu, V., Tang, A., Gabriel, G., Ly, C., Adamjee, S., Dame, Z. T., Han, B., Zhou, Y., & Wishart, D. S. (2014). DrugBank 4.0: shedding new light on drug metabolism. Nucleic Acids Research. https://doi.org/10.1093/nar/gkt1068

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Contains information from the Semantic Scholar Academic Graph Datasets, made available under the ODC Attribution License (ODC-BY 1.0).

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