title: PLS-QSAR of the adult and developmental toxicity of chemicals to Hydra attenuata.
abstract: 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.
authors.affiliation: CTIS, 3 Chemin de la Gravière, 69140 Rillieux La Pape, France. j.devillers@ctis.fr
authors.forename: J
authors.initials: J
authors.lastname: Devillers
authors.forename: A
authors.initials: A
authors.lastname: Chezeau
authors.forename: E
authors.initials: E
authors.lastname: Thybaud
mesh_terms: D000367:Age Factors; D000818:Animals; D005544:Forecasting; D006829:Hydra / Q000254:growth & development; D006860:Hydrogen Bonding; D009930:Organic Chemicals / Q000633:toxicity; D012044:Regression Analysis; D013329:Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000633:toxicity*
chemical_list: D009930:Organic Chemicals; D014874:Water Pollutants, Chemical