Alarms about structural alerts
Open accessAbstract
Integrative approach for safety assessment of new chemicals by combining structural alerts and QSAR models.
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References 69 · Cited by 133
Research works printed but not linked: 1
- [6]OECD Report of the workshop on structural alerts for the OECD (Q)SAR application toolbox 2009 accessed 23 June 2016 http://www.oecd.org/officialdocuments/publicdisplaydocumentpdf/?cote=env/jm/mono(2009)4&doclanguage=en
- Authors
- Alves, V. M., Muratov, E. N., Capuzzi, S. J., Politi, R., Low, Y., Braga, R. C., Zakharov, A. V., Sedykh, A., Mokshyna, E., Farag, S., Andrade, C. H., Kuz'min, V. E., Fourches, D., & Tropsha, A.
- Affiliations
- Laboratory for Molecular Modeling
- University of North Carolina at Chapel Hill (US)
- Netflix (United States) (US)
- Universidade Federal de Goiás (BR)
- National Institutes of Health (US)
- Sciome LLC
- Laboratory of Theoretical Chemistry
- North Carolina State University (US)
- Corresponding author
- Tropsha, Alexander
- ORCID
- Venue
- Green Chemistry
- Publisher
- Royal Society of Chemistry (RSC)
- Published
- 2016
- Volume
- 18
- Issue
- 16
- Pages
- 4348-4360
- ISSN
- 1463-9262 (ISSN-L)
- 1463-9270
- PMC
- PMC5423727
- OpenAlex
- W2464316836
- Cited by
- 133
- References
- 69
- Citations by year
- 2026: 15 · 2025: 6 · 2024: 7 · 2023: 14 · 2022: 13 · 2021: 15 · 2020: 24 · 2019: 12 · 2018: 16 · 2017: 9 · 2016: 2
- FWCI
- 11.96
- Type
- journal article
- Language
- en
- Open access
- green
- www.ncbi.nlm.nih.gov
- Locations
- Green Chemistry (publishedVersion)
- PubMed (publishedVersion)
- Europe PMC (PubMed Central) (acceptedVersion)
- PubMed Central (acceptedVersion)
- Funders
- National Institutes of Health (5r01gm096967-03)
- National Institute of General Medical Sciences (R01-GM096967)
- Topics
- Physical Sciences › Computer Science › Computational Theory and Mathematics › Computational Drug Discovery Methods
- Physical Sciences › Environmental Science › Health, Toxicology and Mutagenesis › Environmental Toxicology and Ecotoxicology
- Physical Sciences › Environmental Science › Environmental Chemistry › Chemistry and Chemical Engineering
- Keywords
- structural alerts, QSAR models, chemical toxicity prediction, read-across, chemical safety assessment, regulatory toxicology, chemical substructures, model interpretability, toxicity markers, chemical hazard classification
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