A New QSAR Model for Acute Fish Toxicity based on Mined Structural Alerts
Gini Giuseppina, Thomas Ferrari, Anna Lombardo, Antonio Cassano, Emilio Benfenati · Journal of Toxicology and Risk Assessment · 2019
In this paper we discuss the problem of predicting the fish toxicity property of chemical compounds, and show how this can be approached using a computational intelligence method. There are two views on assessing toxicities: One says that such properties can be derived from the whole molecular structure, the other that some specific functional substructures, called Structural Alerts (SA), are able to explain the toxicity.