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Spectral density distribution moments as novel descriptors for QSAR/QSPR

Structural Chemistry (2014) 25(1) 29-35
DOI: 10.1007/s11224-013-0229-x
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Abstract

We propose spectral density distribution moments as molecular descriptors. We apply the new descriptors for developing a QSPR model that predicts the logarithmic values of subcooled liquid vapor pressure. We consider the infrared spectra of chloronaphthalenes. © 2013 The Author(s).

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Bielińska-Wąż, D., Wąż, P., Jagiełło, K., & Puzyn, T. (2014). Spectral density distribution moments as novel descriptors for QSAR/QSPR. Structural Chemistry, 25(1), 29–35. https://doi.org/10.1007/s11224-013-0229-x

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