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. Author manuscript; available in PMC: 2010 Apr 9.
Published in final edited form as: J Med Chem. 2009 Apr 9;52(7):1953–1962. doi: 10.1021/jm801514w

Table 1.

Scores specifications of the low density regions and with typical structure examples.

Region tPS1†† tPS2‡‡ tPS3§§ tPS4*** Example
I <−5 - - - graphic file with name nihms100562t1.jpg
II −3.5 – −2.5 −0.5 – 0.5 graphic file with name nihms100562t2.jpg
III - >6 - - graphic file with name nihms100562t3.jpg
IV 0 – 4 −1.5 – −1 - - graphic file with name nihms100562t4.jpg
V 7.5 – 12.5 −1 – 1 - - graphic file with name nihms100562t5.jpg
VI 5 – 10 −2 – −3.5 - - graphic file with name nihms100562t6.jpg
VII <5 - - >4 graphic file with name nihms100562t7.jpg
VIII <10 - - <−1.5 graphic file with name nihms100562t8.jpg
IX 10–30 - - <0 graphic file with name nihms100562t9.jpg
X >30 - - - graphic file with name nihms100562t10.jpg
††

Predicted scores in component 1

‡‡

Predicted scores in component 2

§§

Predicted scores in component 3

***

Predicted scores in component 4