A new approach to QSAR modelling of acute toxicity†
✍ Scribed by Lagunin, A. A.; Zakharov, A. V.; Filimonov, D. A.; Poroikov, V. V.
- Book ID
- 121263249
- Publisher
- Taylor and Francis Group
- Year
- 2007
- Tongue
- English
- Weight
- 184 KB
- Volume
- 18
- Category
- Article
- ISSN
- 1062-936X
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## Abstract The method for QSAR modelling of rat acute toxicity based on the combination of QNA (Quantitative Neighbourhoods of Atoms) descriptors, PASS (Prediction of Activity Spectra for Substances) predictions and self‐consistent regression (SCR) is presented. PASS predicted biological activity
## Abstract Under REACH legislation, alternative methods (in silico or in vitro) like QSAR (Quantitative Structure‐Activity Relationships) models are expected to play a significant role. QSARs are based on the assumption that substances with similar chemical structures may have the same biological