QSAR modeling of the adult and developmental toxicity of glycols, glycol ethers and xylenes to Hydra attenuata - Archive ouverte HAL Access content directly
Journal Articles SAR and QSAR in Environmental Research Year : 2002

QSAR modeling of the adult and developmental toxicity of glycols, glycol ethers and xylenes to Hydra attenuata

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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.
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ineris-00962832 , version 1 (21-03-2014)

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James Devillers, Aurélie Chezeau, Eric Thybaud, Roger Rahmani. QSAR modeling of the adult and developmental toxicity of glycols, glycol ethers and xylenes to Hydra attenuata. SAR and QSAR in Environmental Research, 2002, 13 (5), pp.555-566. ⟨10.1080/10629360209923377⟩. ⟨ineris-00962832⟩

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