Article
Evaluation of a statistics-based Ames mutagenicity QSAR model and interpretation of the results obtained.
Regulatory toxicology and pharmacology : RTP - 1 Apr 2016
Barber Chris, Cayley Alex, Hanser Thierry, Harding Alex, Heghes Crina, Vessey Jonathan D, Werner Stephane, Weiner Sandy K, Wichard Joerg, Giddings Amanda, Glowienke Susanne, Parenty Alexis, Brigo Alessandro, Spirkl Hans-Peter, Amberg Alexander, Kemper Ray, Greene Nigel
Abstract excerpt
The relative wealth of bacterial mutagenicity data available in the public literature means that in silico quantitative/qualitative structure activity relationship (QSAR) systems can readily be built for this endpoint. A good means of evaluating the performance of such systems is to use private unpublished data sets, which generally represent a more distinct chemical space than publicly available test sets and,...
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