Application of Random Forest and Multipl
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Nikolay A. Kovdienko; Pavel G. Polishchuk; Eugene N. Muratov ; Anatoly G. Arteme
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Article
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2010
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Wiley (John Wiley & Sons)
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English
⚖ 502 KB
## Abstract The relationship between the aqueous solubility of more than two thousand eight hundred organic compounds and their structures was investigated using a QSPR approach based on Simplex Representation of Molecular Structure (SiRMS). The dataset consists of 2537 diverse organic compounds. M