title: QSAR modeling of the adult and developmental toxicity of glycols, glycol ethers and xylenes to Hydra attenuata.
abstract: Autocorrelation descriptors encoding lipophilicity, molar refractivity, the H-bonding acceptor ability and H-bonding donor ability of the molecules were used to describe glycols, glycol ethers, and xylenes characterized by their adult and developmental toxicities to Hydra attenuata. A PLS regression analysis was employed to derive a QSAR model allowing to simulate both endpoints. Comparisons were made with classical regression analyses using the 1-octanol/water partition coefficient as molecular descriptor.
authors.affiliation: CTIS, 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
authors.forename: R
authors.initials: R
authors.lastname: Rahmani
mesh_terms: D000367:Age Factors; D000818:Animals; D004987:Ethers / Q000737:chemistry; D006018:Glycols / Q000633:toxicity*; D006829:Hydra; D008956:Models, Chemical; D012044:Regression Analysis; D013329:Structure-Activity Relationship; D014874:Water Pollutants, Chemical / Q000633:toxicity*; D014992:Xylenes / Q000633:toxicity*
chemical_list: D004987:Ethers; D006018:Glycols; D014874:Water Pollutants, Chemical; D014992:Xylenes