Research Article

A Comparative Study of Two Quantum Chemical Descriptors in Predicting Toxicity of Aliphatic Compounds towards Tetrahymena pyriformis

Table 4

The general regression equations obtained by using one-parameter and two-parameter models for all the aliphatic acceptors and donors (removing the racemates and the diastereomers from the data set and by changing the unit of IGC50 from mg/L to molarity).
(a)

For aliphatic acceptors:


(b)

For aliphatic donors: