A Comparative Study of Two Quantum Chemical Descriptors in Predicting Toxicity of Aliphatic Compounds towards Tetrahymena pyriformis
Figure 3
Observed and calculated pIGC50 values (a) using electrophilicity index () and descriptors and (b) using and descriptors in a two-parameter regression model, for a complete set of aliphatic acceptors (removing the racemates and the diastereomers from the data set and by changing the unit of IGC50 from mg/L to molarity).
