Physical Connotations of Self Similarity Measures

In all three of these approaches, the similarity indices should be maximized. Both the Carbo index and the Hodgkin-Richards index were used by Boon et al. % whereas in the applications of AIM, the Cioslowski similarity measure was For the atom-centered approach, we can use all 

What physical meaning can be attached to the molecular quantum similarity indices calculated with some positive definite operator No direct indication exists that any meaning should be attached in general. Eor the 

Amat et have investigated the correlation between these MQSM and 

It was later found that good correlations are also obtained with gas phase only data, therefore, negating the extra work associated with doing separate calculations for the same molecule immersed in the two different solvents. When we use ab initio calculated gas phase electron populations as 

Pa in Eq. [41], correlations above 99% could again be obtained, which means that for predictive purposes, log P for molecule A can be substituted by the MQSSM. Thus, the Lipinski rules can be modified taking into account easily and universally computed self-similarities. 

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