COSMOmic describes micelles or biomembranes as liquid layers. COSMOmic provides detailed information about the distribution of neutral and ionic species in micellar systems and biomembranes based on the structures obtained from molecular dynamics simulation of membranes and micelles. 

COSMOmic describes micelles or biomembranes as liquid layers. COSMOmic provides detailed information about the distribution of neutral and ionic species in micellar systems and biomembranes based on the structures obtained from molecular dynamics simulation of membranes and micelles. COSMOperm adds fast calculation of diffusion profile, which in addition to free energy profile allows estimation of the membrane permeability. 

XLOGP3 is a QSAR model for calculation of the logarithmic value of partition coefficient for octanol/water mixture. XLOGP3 has implemented an optimized atom typing scheme and is calibrated on a much larger training set. More importantly, based on the assumption that compounds with similar structures have similar properties, XLOGP3 introduces a new strategy by predicting logP value of a query compound based on the known logP value of a structural analog. 
It is widely used as a benchmark calculation of logP in PubChem. 

Method based on high-throughput coarse-grained (HTCG) simulations to derive a permeability surface in terms of two simple molecular descriptors—bulk partitioning free energy and pK_a.