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. Author manuscript; available in PMC: 2007 Oct 5.
Published in final edited form as: Bioorg Med Chem. 2007 Feb 11;15(8):2975–2992. doi: 10.1016/j.bmc.2007.02.013

Table 6.

X-Weights for the PLS components from the PLS analysis summarized in Table 5

No.* Descriptor
Ram PW5 DISPm G(N.N) RCON DISPp
1 0.374 0.460 0.310 0.060 0.275 −0.002
2 −0.245 0.229 0.378 −0.411 −0.541 −0.059
3 −0.356 −0.009 −0.264 −0.032 −0.328 −0.455
4 −0.431 −0.083 0.166 0.572 0.106 0.012
5 −0.268 −0.355 0.455 −0.379 0.128 0.330
6 0.045 −0.186 −0.192 −0.218 0.183 −0.457
7 −0.076 0.175 −0.051 0.242 −0.329 0.136
8 0.205 0.323 −0.391 −0.173 −0.245 0.245
9 0.398 −0.182 0.262 0.237 −0.466 0.110
10 −0.184 −0.086 −0.430 −0.166 0.064 0.593
11 0.208 −0.509 −0.105 0.239 −0.271 0.085
12 0.360 −0.366 −0.001 −0.279 −0.006 −0.149
No.* Descriptor
HATS5u R5u R4u+ R1v+ R5v+ R5e+

1 0.092 0.373 −0.136 −0.339 0.437 0.033
2 −0.166 −0.128 −0.209 0.041 0.236 −0.367
3 0.460 0.363 0.098 −0.308 0.082 0.181
4 −0.249 0.354 0.143 −0.021 0.007 −0.482
5 −0.031 0.408 0.074 0.001 −0.093 0.380
6 −0.637 0.147 −0.348 −0.274 −0.108 0.038
7 −0.498 −0.145 0.379 −0.172 0.267 0.512
8 −0.176 0.582 0.086 0.338 −0.222 −0.100
9 0.044 0.050 −0.098 −0.441 −0.493 −0.054
10 0.033 −0.086 −0.139 −0.530 0.168 −0.233
11 0.023 0.167 −0.400 0.292 0.519 0.079
12 −0.044 0.036 0.664 −0.096 0.255 −0.342
*

Component number.