Summary of results from CoMSIA analyses for a training set of 76 JH agonists.
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Legend:n = number of compounds.Comp = number of PLS components in analysis.q2 = Squared correlation coefficient of a cross-validated analysis.SPRESS = Standard deviation of error of prediction.r2 = Standard correlation coefficient of a non-cross-validated analysis.SEE = Standard deviation of a non-cross-validated analysis.Fraction = Field contribution from CoMSIA like S = steric, E = electrostatic, A = hydrogen bond acceptor type, D = hydrogen bond donor type, H = hydrophobic.
创建时间：
2015-12-02
