1. Aptula AO, Roberts DW (2006) Mechanistic applicability domains for non-animal based prediction of toxicological end points: General principles and application to reactive toxicity. Chem Res Tox 19:1097–1105
2. Streitwieser A, Heathcock CH (1985) Introduction to organic chemistry. 3rd edn. Macmillan, New York
3. Schüürmann G (2004) Quantum chemical descriptors in structure–activity relationships – calculation, interpretation and comparison of methods. In: Cronin MTD, Livingstone DJ (eds) Predicting Chemistry Toxicity and Fate. Taylor and Francis, London
4. Fuentealba P, Perez P, Contreras R (2000) On the condensed Fukui function. J Chem Phys 113:2544–2551
5. Leach AR (2001) Molecular Modelling: Principles and Applications. Pearson Education Limited, Harlow