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The inhibitory effect of 100 structurally diverse natural products on the uptake of estrone-3-sulfate (E3S) by OATP1B1 was evaluated using a rapid transport assay. For each natural product, a total of 252 two-dimensional descriptors were calculated using ChemoPy software package developed by our group. Using a particle swarm optimization-based multiple linear regression (PSO-MLR) method, the desired...
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