As the number of Cl atoms increases, the total score shows a decreasing trend, which indicating that highly chlorinated PCBs are not easily degraded and more easily enriched in the fish body, that is, the number of Cl atoms increases, their biological enrichment follows enhanced.
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Biological enrichment prediction of polychlorinated biphenyls and novel molecular design based on 3D-QSAR/HQSAR associated with molecule docking.
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