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Investigating the influence of data splitting on the predictive ability of QSAR/QSPR models

✍ Scribed by Tomasz Puzyn; Aleksandra Mostrag-Szlichtyng; Agnieszka Gajewicz; Michał Skrzyński; Andrew P. Worth

Publisher
Springer
Year
2011
Tongue
English
Weight
215 KB
Volume
22
Category
Article
ISSN
1040-0400

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✍ Alexey Lagunin; Alexey Zakharov; Dmitry Filimonov; Vladimir Poroikov 📂 Article 📅 2011 🏛 Wiley (John Wiley & Sons) 🌐 English ⚖ 786 KB

## 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