SVM Regression QSAR for Bioconcentration Factors

During the bioconcentration process, chemical compounds accumulate in, for example, fish, by absorption through skin or respiratory surface. The steady-state ratio between the concentration of a compound in an aquatic organism and its concentration in the aquatic environment defines the bioconcentration factor (BCF). To determine the environmental fate of chemicals released from industrial, agricultural, or residential sources, it is essential to determine or predict their BCF. Because the experimental determination of BCF is time consuming and expensive, various QSAR models have been developed for the BCF prediction using structural descriptors. Gramatica and Papa proposed a BCF QSAR model for 238 diverse chemicals, based on five theoretical descriptors, namely deg n ean information content of the dis- 

Exp Kernel rLio%o U0%0 L10%0 rL20%0 L20%0 El20%0 rL25%0 2 4l25%0 El25%0 

---