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Hydrophobic Group Perception

The algorithm to perceive hydrophobic groups is in close agreement with that published by Wang and Zhou. (J. Chem. Inf. Comput. Sci. 1998, 38, 71-77)

Graphical Illustration of the hydrophobic Group Perception Algorithm

Table 1. Hydrophilic Atoms
Type           Description
1 N,O
2 S in SH
3 S with double bond
4 ≤ 1 bond away from charged atom
5 ≤ 1 bond away from OH, NH, or NH2 with no delocalized electrons
6 ≤ 1 bond away from SH with no delocalized electrons
7 ≤ 1 bond away from O with double bond
8 ≤ 1 bond away from S with valence > 2
9 > one neighboring O or N with no delocalized electrons
A two bond away from O with double bond
B one bond away from S with valence > 2
10 two or more instance of any of the previous two(A,B)

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