D. Villemin et al., NEURAL NETWORKS STUDIES - QUANTITATIVE STRUCTURE-ACTIVITY RELATIONSHIP OF MUTAGENIC AROMATIC NITRO-COMPOUNDS, Journal de chimie physique et de physico-chimie biologique, 90(7-8), 1993, pp. 1505-1519
The application of neural networks to the study of quantitative struct
ure-activity relationship (QSAR) of mutagenic aromatic and heteroaroma
tic nitro compounds is reported. The results obtained are compared wit
h the results given by a multiple linear regression. It is shown that
neural networks prediction is more accurate than regression analysis p
rediction.