PLS-QSAR of the adult and developmental toxicity of chemicals to Hydra attenuata

Autocorrelation descriptors encoding lipophilicity, molar refractivity, the H-bonding acceptor and donor ability of the molecules and also indicator variables were used to describe 30 organic chemicals characterized by their adult and developmental toxicities to Hydra attenuata . A PLS regression analysis was successfully employed to derive a QSAR model allowing the simulation of both endpoints. Comparisons were made with orthogonal regression analysis and different nonlinear regression analyses.

Keywords:

• Glycol Ethers
• Organic Chemicals
• Hydra Attenuata
• Autocorrelation Method
• Qsar
• Pls Regression