Application of molecular topology for the prediction of the toxicity of organic chemicals to Chlorella vulgaris

R.GarcÃÃÂâ

Abstract

In this paper a multilinear regression analysis has been carried out in order to look for amathematicalmodel capable to accurately predict the toxicity of Chlorella vulgaris of a set of organic chemicals. The structural description has been achieved through topological indices and themodel was validated by a cross-validation test, an external validation test and a randomization test. The results confirm the modelÂ’s capability to predict the analysed property.