Li-Tang Qin

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Non-monotonic (biphasic) dose-response relationships, known as hormetic relationships, have been observed across multiple experimental systems. Several models were proposed to describe non-monotonic relationships. However, few studies provided comprehensive description of hermetic quantities and their potential application. In this study, five biphasic(More)
A number of descriptors were employed to characterize the molecular structures of the 128 estrogen receptor β ligands. A quantitative structure–activity relationship (QSAR) model of these compounds was developed by the variable selection method based on variable interaction. The QSAR model with five descriptors was internally and externally validated. The(More)
A five-variable model (model M2) was developed for the bioconcentration factors (BCFs) of nonpolar organic compounds (NPOCs) by using molecular electronegativity distance vector (MEDV) to characterize the structures of NPOCs and variable selection and modeling based on prediction (VSMP) to select the optimum descriptors. The estimated correlation(More)
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