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- W2410687981 abstract "Whether small molecule xenobiotics (biocides, drugs, probes, toxins) will target mitochondria in living cells can be predicted using an algorithm derived from QSAR modeling. Application of the algorithm requires the chemical structures of all ionic species of the xenobiotic compound in question to be defined, and for certain numerical structure parameters (AI, CBN, log P, pKa, and Z) to be obtained for all such species. How the chemical structures are specified, how the structure parameters are obtained or estimated, and how the algorithm is used are described in an explicit protocol." @default.
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- W2410687981 date "2015-01-01" @default.
- W2410687981 modified "2023-10-17" @default.
- W2410687981 title "Predicting Mitochondrial Targeting by Small Molecule Xenobiotics Within Living Cells Using QSAR Models" @default.
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- W2410687981 doi "https://doi.org/10.1007/978-1-4939-2288-8_2" @default.
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