Quantum topological molecular descriptor
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Y. Paukku; G. Hill
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Article
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2011
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John Wiley and Sons
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English
β 277 KB
## Abstract A Quantitative structureβactivity relationship study is performed on a set of organophosphorus compounds to reveal structural and quantumβchemical features influencing the toxic effect. The properties derived from the topological analysis of the electron density have been used to model