Extended Adjacency Matrix- Kow Relationships

Extended Adjacency Matrix-Kow Relationships Yang et al. [39] derived two descriptors, EAS and EAmax, from the extended adjacency (EA) matrix and demonstrated their correlation with log,0 ow for barbiturate acid derivatives with structures I and II  

Van der Waals Parameter-Kow Relationships Moriguchi et al. [40] have studied the correlation of Kow with either the van der Waals volume, Vvaw, or the van der Waals surface area, Aw, for apolar organic compounds such as inert gases, alkylbenzenes, PAHs, and halogenated alkanes and benzenes. The relationships are 

The van der Waals parameters are calculated from atom and bond contributions provided by Moriguchi et al. [40] who give a sample calculation for bromopropane. 

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