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• W2027264295 abstract "We present an extended QSPR modeling of solubilities of about 500 substances in series of up to 69 diverse solvents. The models are obtained with our new software package, CODESSA PRO, which is furnished with an advanced variable selection procedure and a large pool of theoretically derived molecular descriptors. The squared correlation coefficients and squared standard deviations (variances) range from 0.837 and 0.1 for 2-pyrrolidone to 0.998 and 0.02 for dipropyl ether, respectively. The predictive power of the models was verified by using the leave-one-out cross-validation procedure. The QSPR models presented are suitable for the rapid evaluation of solvation free energies of organic compounds." @default.
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• W2027264295 date "2003-10-02" @default.
• W2027264295 modified "2023-10-16" @default.
• W2027264295 title "A General Treatment of Solubility. 1. The QSPR Correlation of Solvation Free Energies of Single Solutes in Series of Solvents" @default.
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• W2027264295 doi "https://doi.org/10.1021/ci034120c" @default.
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