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.
Document type :
Journal articles
Complete list of metadatas

https://hal-ineris.archives-ouvertes.fr/ineris-00962832
Contributor : Gestionnaire Civs <>
Submitted on : Friday, March 21, 2014 - 1:59:07 PM
Last modification on : Wednesday, November 29, 2017 - 9:49:22 AM

Identifiers

Collections

Citation

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

Share

Metrics

Record views

120