title: A General QSAR Model for Predicting the Toxicity of Organic Chemicals to Luminescent Bacteria (Microtox® test).
abstract: Abstract   A large data set of Microtox® toxicity results was used to derive a general QSAR model. Chemicals were described by means of a modified autocorrelation method. The autocorrelation vectors were generated from atomic contributions encoding the hydrophobicity and molar refractivity of the molecules. A three-layer backpropagation neural network was used to design the model. The obtained results were compared with those obtained from a principal components regression analysis.
authors.affiliation: a    CTIS   ,  21 rue de la Bannière ,  69003 ,  Lyon ,    France.
authors.forename: J
authors.initials: J
authors.lastname: Devillers
authors.forename: S
authors.initials: S
authors.lastname: Bintein
authors.forename: D
authors.initials: D
authors.lastname: Domine
authors.forename: W
authors.initials: W
authors.lastname: Karcher