Quantitative Structure-Property Relationships for the Polarizability, Solvatochromic Parameters and Lipophilicity
作者： Gerrit Schüürmann
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摘要: The polarizability α vol , the solvatochromic parameters π * and β lipophilicity as expressed by log K ow are subjected to regression analyses using calculated molecular within MNDO scheme. resulting linear one- more-variable equations enable rapid approximate calculations for of untested compounds; in particular, is split into a size an electronic part which offers new possibilities applications quantitative structure-activity relationships
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