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[求助]
sybyl comfa静电场计算
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做PLS分析时发现静电场没被使用,色块图中也没有。之前做过一次结果是正常的,但现在复现不了,不知道怎么回事 Dropped 2795 of 5460 columns. Subject: TAILOR!PLS Option Name Description Value ----------- ----------- ----- BOOTSTRAPPING Number of bootstrap runs to make 0 CENTERING Force intercept thru 0.0? NO COMPONENTS Number of components to use 7 CROSSVALIDATION Number of crossvalidation groups 0 EPSILON Convergence criterion 1.e-4 ITERATION Maximum number of iterations 100 SCALING_METHOD Pre-analysis scaling (COMFA_STD for CoMF COMFA_STD XLIST Print info about xval groups? NO Computation index is 914095. Computation index is 914095. Standard Error of Estimate 0.163 R squared 0.969 F values ( n1= 7, n2=41 ) 185.824 Prob.of R2=0 ( n1= 7, n2=41 ) 0.000 Relative Contributions # Norm.Coeff. Fraction - ----------- --------- 1 COMFA (2730 vars) (Steric) 4.112 1.000 2 COMFA (2730 vars) (Electrostatic) 0.000 0.000 Summary output Standard Error of Estimate 0.163 R squared 0.969 F values ( n1= 7, n2=41 ) 185.824 Prob.of R2=0 ( n1= 7, n2=41 ) 0.000 |
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